USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.031) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0756 (180deg=0) USER MOD Single : A 7 SER OG : rot -36:sc= -0.512 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.23 X(o=-1.2,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 53:sc= 1.18 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0256 K(o=-0.026,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.0404 (180deg=-0.0404) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 66:sc=0.000792 USER MOD Single : A 34 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.51! C(o=-3.5!,f=-5.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000863 USER MOD Single : A 47 SER OG : rot 130:sc= -0.733 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.7) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 62 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-1.9) USER MOD Single : A 67 THR OG1 : rot -140:sc= -0.898 USER MOD Single : A 69 ASN : amide:sc= -5.23! C(o=-5.2!,f=-7.2!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.299 X(o=0.3,f=-0.16) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 26:sc= -0.871 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 120:sc= -1.08 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00045 USER MOD Single : A 92 GLN : amide:sc=-0.00818 X(o=-0.0082,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.621 1.458 -1.949 1.00 71.10 N ATOM 2 CA MET A 1 -2.511 1.525 -2.892 1.00 24.01 C ATOM 3 C MET A 1 -1.315 2.244 -2.274 1.00 74.30 C ATOM 4 O MET A 1 -1.441 2.980 -1.295 1.00 74.03 O ATOM 5 CB MET A 1 -2.944 2.240 -4.173 1.00 41.01 C ATOM 6 CG MET A 1 -3.535 1.308 -5.219 1.00 2.41 C ATOM 7 SD MET A 1 -5.296 1.588 -5.482 1.00 75.11 S ATOM 8 CE MET A 1 -5.600 0.529 -6.894 1.00 70.23 C ATOM 0 H1 MET A 1 -3.783 0.468 -1.673 1.00 71.10 H new ATOM 0 H2 MET A 1 -3.393 2.020 -1.104 1.00 71.10 H new ATOM 0 H3 MET A 1 -4.480 1.838 -2.396 1.00 71.10 H new ATOM 0 HA MET A 1 -2.213 0.505 -3.137 1.00 24.01 H new ATOM 0 HB2 MET A 1 -3.680 3.004 -3.922 1.00 41.01 H new ATOM 0 HB3 MET A 1 -2.083 2.754 -4.601 1.00 41.01 H new ATOM 0 HG2 MET A 1 -3.005 1.443 -6.162 1.00 2.41 H new ATOM 0 HG3 MET A 1 -3.377 0.275 -4.910 1.00 2.41 H new ATOM 0 HE1 MET A 1 -6.650 0.593 -7.178 1.00 70.23 H new ATOM 0 HE2 MET A 1 -4.978 0.850 -7.730 1.00 70.23 H new ATOM 0 HE3 MET A 1 -5.357 -0.501 -6.635 1.00 70.23 H new ATOM 18 N PRO A 2 -0.127 2.026 -2.857 1.00 0.52 N ATOM 19 CA PRO A 2 1.113 2.645 -2.380 1.00 25.04 C ATOM 20 C PRO A 2 1.150 4.147 -2.640 1.00 70.13 C ATOM 21 O PRO A 2 0.526 4.639 -3.580 1.00 33.42 O ATOM 22 CB PRO A 2 2.199 1.935 -3.192 1.00 22.32 C ATOM 23 CG PRO A 2 1.509 1.482 -4.432 1.00 62.11 C ATOM 24 CD PRO A 2 0.097 1.161 -4.027 1.00 22.13 C ATOM 0 HA PRO A 2 1.231 2.541 -1.301 1.00 25.04 H new ATOM 0 HB2 PRO A 2 3.025 2.608 -3.422 1.00 22.32 H new ATOM 0 HB3 PRO A 2 2.618 1.093 -2.642 1.00 22.32 H new ATOM 0 HG2 PRO A 2 1.529 2.260 -5.196 1.00 62.11 H new ATOM 0 HG3 PRO A 2 2.002 0.607 -4.855 1.00 62.11 H new ATOM 0 HD2 PRO A 2 -0.610 1.377 -4.828 1.00 22.13 H new ATOM 0 HD3 PRO A 2 -0.019 0.107 -3.776 1.00 22.13 H new ATOM 32 N ALA A 3 1.886 4.871 -1.803 1.00 34.53 N ATOM 33 CA ALA A 3 2.005 6.316 -1.945 1.00 2.24 C ATOM 34 C ALA A 3 3.328 6.696 -2.602 1.00 32.30 C ATOM 35 O ALA A 3 4.390 6.219 -2.202 1.00 54.14 O ATOM 36 CB ALA A 3 1.875 6.992 -0.588 1.00 12.42 C ATOM 0 H ALA A 3 2.409 4.480 -1.019 1.00 34.53 H new ATOM 0 HA ALA A 3 1.197 6.661 -2.590 1.00 2.24 H new ATOM 0 HB1 ALA A 3 1.966 8.071 -0.709 1.00 12.42 H new ATOM 0 HB2 ALA A 3 0.903 6.756 -0.156 1.00 12.42 H new ATOM 0 HB3 ALA A 3 2.663 6.634 0.074 1.00 12.42 H new ATOM 42 N ALA A 4 3.256 7.556 -3.613 1.00 34.24 N ATOM 43 CA ALA A 4 4.448 8.000 -4.324 1.00 74.13 C ATOM 44 C ALA A 4 4.463 9.517 -4.475 1.00 43.34 C ATOM 45 O ALA A 4 3.416 10.147 -4.631 1.00 21.14 O ATOM 46 CB ALA A 4 4.528 7.331 -5.688 1.00 71.24 C ATOM 0 H ALA A 4 2.385 7.959 -3.958 1.00 34.24 H new ATOM 0 HA ALA A 4 5.320 7.711 -3.738 1.00 74.13 H new ATOM 0 HB1 ALA A 4 5.423 7.672 -6.208 1.00 71.24 H new ATOM 0 HB2 ALA A 4 4.572 6.249 -5.561 1.00 71.24 H new ATOM 0 HB3 ALA A 4 3.646 7.592 -6.274 1.00 71.24 H new ATOM 52 N LEU A 5 5.656 10.099 -4.429 1.00 5.44 N ATOM 53 CA LEU A 5 5.809 11.544 -4.560 1.00 15.32 C ATOM 54 C LEU A 5 5.073 12.060 -5.793 1.00 33.54 C ATOM 55 O LEU A 5 4.865 11.324 -6.757 1.00 72.52 O ATOM 56 CB LEU A 5 7.290 11.915 -4.644 1.00 1.52 C ATOM 57 CG LEU A 5 7.864 12.663 -3.440 1.00 22.13 C ATOM 58 CD1 LEU A 5 7.271 14.060 -3.347 1.00 5.33 C ATOM 59 CD2 LEU A 5 7.606 11.886 -2.157 1.00 62.31 C ATOM 0 H LEU A 5 6.532 9.592 -4.302 1.00 5.44 H new ATOM 0 HA LEU A 5 5.374 12.012 -3.677 1.00 15.32 H new ATOM 0 HB2 LEU A 5 7.866 11.000 -4.786 1.00 1.52 H new ATOM 0 HB3 LEU A 5 7.441 12.528 -5.533 1.00 1.52 H new ATOM 0 HG LEU A 5 8.942 12.756 -3.575 1.00 22.13 H new ATOM 0 HD11 LEU A 5 7.691 14.577 -2.484 1.00 5.33 H new ATOM 0 HD12 LEU A 5 7.507 14.617 -4.254 1.00 5.33 H new ATOM 0 HD13 LEU A 5 6.189 13.989 -3.236 1.00 5.33 H new ATOM 0 HD21 LEU A 5 8.021 12.433 -1.311 1.00 62.31 H new ATOM 0 HD22 LEU A 5 6.532 11.761 -2.017 1.00 62.31 H new ATOM 0 HD23 LEU A 5 8.079 10.906 -2.223 1.00 62.31 H new ATOM 71 N VAL A 6 4.682 13.330 -5.755 1.00 25.33 N ATOM 72 CA VAL A 6 3.973 13.945 -6.870 1.00 11.01 C ATOM 73 C VAL A 6 4.319 15.425 -6.992 1.00 60.32 C ATOM 74 O VAL A 6 4.735 15.890 -8.053 1.00 72.24 O ATOM 75 CB VAL A 6 2.448 13.797 -6.715 1.00 34.02 C ATOM 76 CG1 VAL A 6 1.725 14.475 -7.869 1.00 1.32 C ATOM 77 CG2 VAL A 6 2.062 12.328 -6.623 1.00 11.40 C ATOM 0 H VAL A 6 4.845 13.953 -4.964 1.00 25.33 H new ATOM 0 HA VAL A 6 4.291 13.425 -7.773 1.00 11.01 H new ATOM 0 HB VAL A 6 2.145 14.288 -5.790 1.00 34.02 H new ATOM 0 HG11 VAL A 6 0.649 14.360 -7.742 1.00 1.32 H new ATOM 0 HG12 VAL A 6 1.977 15.535 -7.884 1.00 1.32 H new ATOM 0 HG13 VAL A 6 2.030 14.016 -8.809 1.00 1.32 H new ATOM 0 HG21 VAL A 6 0.981 12.242 -6.514 1.00 11.40 H new ATOM 0 HG22 VAL A 6 2.377 11.811 -7.530 1.00 11.40 H new ATOM 0 HG23 VAL A 6 2.551 11.877 -5.760 1.00 11.40 H new ATOM 87 N SER A 7 4.145 16.160 -5.899 1.00 21.14 N ATOM 88 CA SER A 7 4.436 17.589 -5.884 1.00 30.32 C ATOM 89 C SER A 7 4.625 18.090 -4.455 1.00 73.12 C ATOM 90 O SER A 7 4.440 17.343 -3.494 1.00 74.53 O ATOM 91 CB SER A 7 3.309 18.367 -6.565 1.00 13.22 C ATOM 92 OG SER A 7 2.853 17.694 -7.726 1.00 2.43 O ATOM 0 H SER A 7 3.804 15.790 -5.012 1.00 21.14 H new ATOM 0 HA SER A 7 5.363 17.752 -6.433 1.00 30.32 H new ATOM 0 HB2 SER A 7 2.481 18.498 -5.868 1.00 13.22 H new ATOM 0 HB3 SER A 7 3.661 19.363 -6.833 1.00 13.22 H new ATOM 0 HG SER A 7 3.612 17.270 -8.178 1.00 2.43 H new ATOM 98 N ILE A 8 4.994 19.359 -4.324 1.00 42.54 N ATOM 99 CA ILE A 8 5.207 19.961 -3.014 1.00 41.51 C ATOM 100 C ILE A 8 4.817 21.436 -3.017 1.00 24.24 C ATOM 101 O ILE A 8 4.832 22.091 -4.059 1.00 22.41 O ATOM 102 CB ILE A 8 6.675 19.831 -2.566 1.00 71.23 C ATOM 103 CG1 ILE A 8 7.574 20.724 -3.424 1.00 11.14 C ATOM 104 CG2 ILE A 8 7.127 18.380 -2.649 1.00 14.41 C ATOM 105 CD1 ILE A 8 7.806 22.096 -2.829 1.00 62.53 C ATOM 0 H ILE A 8 5.152 19.991 -5.109 1.00 42.54 H new ATOM 0 HA ILE A 8 4.572 19.421 -2.312 1.00 41.51 H new ATOM 0 HB ILE A 8 6.754 20.158 -1.529 1.00 71.23 H new ATOM 0 HG12 ILE A 8 8.536 20.230 -3.564 1.00 11.14 H new ATOM 0 HG13 ILE A 8 7.126 20.836 -4.411 1.00 11.14 H new ATOM 0 HG21 ILE A 8 8.166 18.304 -2.329 1.00 14.41 H new ATOM 0 HG22 ILE A 8 6.502 17.767 -2.000 1.00 14.41 H new ATOM 0 HG23 ILE A 8 7.037 18.029 -3.677 1.00 14.41 H new ATOM 0 HD11 ILE A 8 8.452 22.675 -3.490 1.00 62.53 H new ATOM 0 HD12 ILE A 8 6.851 22.609 -2.714 1.00 62.53 H new ATOM 0 HD13 ILE A 8 8.283 21.994 -1.854 1.00 62.53 H new ATOM 117 N SER A 9 4.471 21.953 -1.842 1.00 73.51 N ATOM 118 CA SER A 9 4.075 23.350 -1.709 1.00 20.34 C ATOM 119 C SER A 9 5.066 24.114 -0.835 1.00 72.25 C ATOM 120 O SER A 9 5.127 23.911 0.377 1.00 1.23 O ATOM 121 CB SER A 9 2.670 23.449 -1.112 1.00 12.01 C ATOM 122 OG SER A 9 1.682 23.133 -2.078 1.00 1.51 O ATOM 0 H SER A 9 4.457 21.426 -0.969 1.00 73.51 H new ATOM 0 HA SER A 9 4.072 23.798 -2.703 1.00 20.34 H new ATOM 0 HB2 SER A 9 2.583 22.771 -0.263 1.00 12.01 H new ATOM 0 HB3 SER A 9 2.503 24.457 -0.733 1.00 12.01 H new ATOM 0 HG SER A 9 0.793 23.202 -1.671 1.00 1.51 H new ATOM 128 N VAL A 10 5.841 24.994 -1.462 1.00 33.33 N ATOM 129 CA VAL A 10 6.829 25.790 -0.743 1.00 74.14 C ATOM 130 C VAL A 10 6.548 27.281 -0.894 1.00 34.31 C ATOM 131 O VAL A 10 6.266 27.762 -1.991 1.00 44.14 O ATOM 132 CB VAL A 10 8.256 25.495 -1.241 1.00 22.14 C ATOM 133 CG1 VAL A 10 8.773 24.196 -0.642 1.00 33.44 C ATOM 134 CG2 VAL A 10 8.290 25.441 -2.760 1.00 42.55 C ATOM 0 H VAL A 10 5.804 25.173 -2.465 1.00 33.33 H new ATOM 0 HA VAL A 10 6.754 25.514 0.309 1.00 74.14 H new ATOM 0 HB VAL A 10 8.910 26.304 -0.914 1.00 22.14 H new ATOM 0 HG11 VAL A 10 9.783 24.004 -1.005 1.00 33.44 H new ATOM 0 HG12 VAL A 10 8.788 24.277 0.445 1.00 33.44 H new ATOM 0 HG13 VAL A 10 8.120 23.374 -0.936 1.00 33.44 H new ATOM 0 HG21 VAL A 10 9.306 25.232 -3.094 1.00 42.55 H new ATOM 0 HG22 VAL A 10 7.623 24.654 -3.111 1.00 42.55 H new ATOM 0 HG23 VAL A 10 7.965 26.399 -3.166 1.00 42.55 H new ATOM 144 N SER A 11 6.626 28.007 0.216 1.00 1.24 N ATOM 145 CA SER A 11 6.377 29.444 0.209 1.00 30.10 C ATOM 146 C SER A 11 7.628 30.214 0.620 1.00 42.44 C ATOM 147 O SER A 11 7.682 30.844 1.676 1.00 31.35 O ATOM 148 CB SER A 11 5.221 29.787 1.150 1.00 10.34 C ATOM 149 OG SER A 11 3.970 29.547 0.530 1.00 13.31 O ATOM 0 H SER A 11 6.860 27.624 1.132 1.00 1.24 H new ATOM 0 HA SER A 11 6.109 29.736 -0.806 1.00 30.10 H new ATOM 0 HB2 SER A 11 5.300 29.192 2.060 1.00 10.34 H new ATOM 0 HB3 SER A 11 5.288 30.834 1.447 1.00 10.34 H new ATOM 0 HG SER A 11 3.248 29.772 1.153 1.00 13.31 H new ATOM 155 N PRO A 12 8.660 30.165 -0.236 1.00 21.51 N ATOM 156 CA PRO A 12 9.930 30.852 0.015 1.00 62.00 C ATOM 157 C PRO A 12 9.798 32.368 -0.080 1.00 54.04 C ATOM 158 O PRO A 12 8.906 32.883 -0.756 1.00 61.13 O ATOM 159 CB PRO A 12 10.844 30.324 -1.094 1.00 1.42 C ATOM 160 CG PRO A 12 9.918 29.922 -2.189 1.00 53.51 C ATOM 161 CD PRO A 12 8.666 29.434 -1.514 1.00 60.42 C ATOM 0 HA PRO A 12 10.304 30.662 1.021 1.00 62.00 H new ATOM 0 HB2 PRO A 12 11.544 31.090 -1.429 1.00 1.42 H new ATOM 0 HB3 PRO A 12 11.439 29.478 -0.748 1.00 1.42 H new ATOM 0 HG2 PRO A 12 9.704 30.764 -2.848 1.00 53.51 H new ATOM 0 HG3 PRO A 12 10.359 29.139 -2.806 1.00 53.51 H new ATOM 0 HD2 PRO A 12 7.778 29.654 -2.107 1.00 60.42 H new ATOM 0 HD3 PRO A 12 8.687 28.355 -1.360 1.00 60.42 H new ATOM 169 N THR A 13 10.690 33.080 0.601 1.00 64.24 N ATOM 170 CA THR A 13 10.673 34.537 0.593 1.00 14.02 C ATOM 171 C THR A 13 11.922 35.099 -0.076 1.00 33.21 C ATOM 172 O THR A 13 13.030 34.959 0.440 1.00 14.33 O ATOM 173 CB THR A 13 10.569 35.105 2.021 1.00 25.13 C ATOM 174 OG1 THR A 13 9.361 34.652 2.642 1.00 2.54 O ATOM 175 CG2 THR A 13 10.597 36.626 2.002 1.00 21.22 C ATOM 0 H THR A 13 11.434 32.670 1.166 1.00 64.24 H new ATOM 0 HA THR A 13 9.794 34.839 0.024 1.00 14.02 H new ATOM 0 HB THR A 13 11.426 34.749 2.593 1.00 25.13 H new ATOM 0 HG1 THR A 13 9.303 35.016 3.550 1.00 2.54 H new ATOM 0 HG21 THR A 13 10.522 37.004 3.022 1.00 21.22 H new ATOM 0 HG22 THR A 13 11.531 36.967 1.556 1.00 21.22 H new ATOM 0 HG23 THR A 13 9.758 36.998 1.415 1.00 21.22 H new ATOM 183 N ASN A 14 11.735 35.735 -1.228 1.00 1.12 N ATOM 184 CA ASN A 14 12.848 36.319 -1.968 1.00 23.43 C ATOM 185 C ASN A 14 12.979 37.809 -1.668 1.00 70.11 C ATOM 186 O ASN A 14 12.705 38.651 -2.523 1.00 74.21 O ATOM 187 CB ASN A 14 12.657 36.104 -3.470 1.00 62.15 C ATOM 188 CG ASN A 14 11.312 36.605 -3.960 1.00 2.23 C ATOM 189 OD1 ASN A 14 11.199 37.724 -4.460 1.00 51.32 O ATOM 190 ND2 ASN A 14 10.284 35.777 -3.816 1.00 64.45 N ATOM 0 H ASN A 14 10.824 35.859 -1.669 1.00 1.12 H new ATOM 0 HA ASN A 14 13.764 35.821 -1.650 1.00 23.43 H new ATOM 0 HB2 ASN A 14 13.452 36.617 -4.012 1.00 62.15 H new ATOM 0 HB3 ASN A 14 12.751 35.042 -3.697 1.00 62.15 H new ATOM 0 HD21 ASN A 14 9.354 36.060 -4.126 1.00 64.45 H new ATOM 0 HD22 ASN A 14 10.424 34.858 -3.396 1.00 64.45 H new ATOM 197 N SER A 15 13.400 38.127 -0.448 1.00 65.13 N ATOM 198 CA SER A 15 13.565 39.515 -0.034 1.00 52.42 C ATOM 199 C SER A 15 14.870 39.702 0.734 1.00 15.33 C ATOM 200 O SER A 15 15.712 38.806 0.779 1.00 65.54 O ATOM 201 CB SER A 15 12.382 39.955 0.831 1.00 24.04 C ATOM 202 OG SER A 15 11.175 39.364 0.384 1.00 70.43 O ATOM 0 H SER A 15 13.633 37.442 0.271 1.00 65.13 H new ATOM 0 HA SER A 15 13.600 40.134 -0.930 1.00 52.42 H new ATOM 0 HB2 SER A 15 12.564 39.677 1.869 1.00 24.04 H new ATOM 0 HB3 SER A 15 12.291 41.041 0.803 1.00 24.04 H new ATOM 0 HG SER A 15 10.435 39.660 0.954 1.00 70.43 H new ATOM 208 N THR A 16 15.030 40.875 1.340 1.00 52.14 N ATOM 209 CA THR A 16 16.231 41.182 2.106 1.00 41.04 C ATOM 210 C THR A 16 15.914 41.331 3.589 1.00 0.21 C ATOM 211 O THR A 16 14.793 41.677 3.963 1.00 22.11 O ATOM 212 CB THR A 16 16.903 42.474 1.603 1.00 13.03 C ATOM 213 OG1 THR A 16 17.945 42.866 2.504 1.00 54.52 O ATOM 214 CG2 THR A 16 15.886 43.598 1.476 1.00 52.24 C ATOM 0 H THR A 16 14.342 41.628 1.315 1.00 52.14 H new ATOM 0 HA THR A 16 16.917 40.347 1.967 1.00 41.04 H new ATOM 0 HB THR A 16 17.329 42.278 0.619 1.00 13.03 H new ATOM 0 HG1 THR A 16 18.554 42.112 2.648 1.00 54.52 H new ATOM 0 HG21 THR A 16 16.383 44.500 1.119 1.00 52.24 H new ATOM 0 HG22 THR A 16 15.109 43.308 0.768 1.00 52.24 H new ATOM 0 HG23 THR A 16 15.435 43.793 2.449 1.00 52.24 H new ATOM 222 N VAL A 17 16.908 41.069 4.431 1.00 24.04 N ATOM 223 CA VAL A 17 16.736 41.176 5.875 1.00 32.02 C ATOM 224 C VAL A 17 17.918 41.893 6.518 1.00 34.24 C ATOM 225 O VAL A 17 19.025 41.891 5.981 1.00 13.12 O ATOM 226 CB VAL A 17 16.575 39.789 6.526 1.00 51.15 C ATOM 227 CG1 VAL A 17 17.881 39.012 6.457 1.00 11.43 C ATOM 228 CG2 VAL A 17 16.102 39.928 7.965 1.00 70.43 C ATOM 0 H VAL A 17 17.842 40.781 4.138 1.00 24.04 H new ATOM 0 HA VAL A 17 15.828 41.755 6.043 1.00 32.02 H new ATOM 0 HB VAL A 17 15.819 39.232 5.972 1.00 51.15 H new ATOM 0 HG11 VAL A 17 17.748 38.035 6.922 1.00 11.43 H new ATOM 0 HG12 VAL A 17 18.172 38.882 5.415 1.00 11.43 H new ATOM 0 HG13 VAL A 17 18.660 39.562 6.985 1.00 11.43 H new ATOM 0 HG21 VAL A 17 15.994 38.939 8.410 1.00 70.43 H new ATOM 0 HG22 VAL A 17 16.832 40.503 8.534 1.00 70.43 H new ATOM 0 HG23 VAL A 17 15.141 40.442 7.984 1.00 70.43 H new ATOM 238 N ALA A 18 17.674 42.505 7.673 1.00 64.33 N ATOM 239 CA ALA A 18 18.719 43.224 8.391 1.00 22.32 C ATOM 240 C ALA A 18 19.732 42.259 8.998 1.00 34.45 C ATOM 241 O ALA A 18 19.518 41.046 9.014 1.00 15.22 O ATOM 242 CB ALA A 18 18.108 44.100 9.474 1.00 54.51 C ATOM 0 H ALA A 18 16.762 42.517 8.131 1.00 64.33 H new ATOM 0 HA ALA A 18 19.244 43.859 7.678 1.00 22.32 H new ATOM 0 HB1 ALA A 18 18.900 44.631 10.002 1.00 54.51 H new ATOM 0 HB2 ALA A 18 17.429 44.821 9.019 1.00 54.51 H new ATOM 0 HB3 ALA A 18 17.557 43.477 10.178 1.00 54.51 H new ATOM 248 N LYS A 19 20.836 42.804 9.497 1.00 31.45 N ATOM 249 CA LYS A 19 21.882 41.992 10.107 1.00 64.41 C ATOM 250 C LYS A 19 21.372 41.305 11.370 1.00 62.34 C ATOM 251 O LYS A 19 20.834 41.953 12.266 1.00 31.31 O ATOM 252 CB LYS A 19 23.099 42.858 10.441 1.00 61.32 C ATOM 253 CG LYS A 19 24.397 42.074 10.530 1.00 44.41 C ATOM 254 CD LYS A 19 25.447 42.824 11.334 1.00 73.31 C ATOM 255 CE LYS A 19 26.826 42.204 11.165 1.00 15.21 C ATOM 256 NZ LYS A 19 27.713 42.502 12.323 1.00 32.55 N ATOM 0 H LYS A 19 21.030 43.805 9.491 1.00 31.45 H new ATOM 0 HA LYS A 19 22.175 41.225 9.391 1.00 64.41 H new ATOM 0 HB2 LYS A 19 23.203 43.632 9.681 1.00 61.32 H new ATOM 0 HB3 LYS A 19 22.924 43.365 11.390 1.00 61.32 H new ATOM 0 HG2 LYS A 19 24.207 41.105 10.992 1.00 44.41 H new ATOM 0 HG3 LYS A 19 24.776 41.880 9.526 1.00 44.41 H new ATOM 0 HD2 LYS A 19 25.474 43.866 11.016 1.00 73.31 H new ATOM 0 HD3 LYS A 19 25.171 42.819 12.389 1.00 73.31 H new ATOM 0 HE2 LYS A 19 26.727 41.124 11.051 1.00 15.21 H new ATOM 0 HE3 LYS A 19 27.284 42.580 10.250 1.00 15.21 H new ATOM 0 HZ1 LYS A 19 28.643 42.062 12.170 1.00 32.55 H new ATOM 0 HZ2 LYS A 19 27.828 43.531 12.417 1.00 32.55 H new ATOM 0 HZ3 LYS A 19 27.289 42.121 13.193 1.00 32.55 H new ATOM 270 N GLY A 20 21.547 39.988 11.434 1.00 53.04 N ATOM 271 CA GLY A 20 21.100 39.236 12.591 1.00 35.13 C ATOM 272 C GLY A 20 19.597 39.034 12.607 1.00 63.24 C ATOM 273 O GLY A 20 18.877 39.732 13.321 1.00 54.23 O ATOM 0 H GLY A 20 21.990 39.429 10.705 1.00 53.04 H new ATOM 0 HA2 GLY A 20 21.594 38.264 12.602 1.00 35.13 H new ATOM 0 HA3 GLY A 20 21.403 39.758 13.499 1.00 35.13 H new ATOM 277 N LEU A 21 19.123 38.077 11.816 1.00 13.42 N ATOM 278 CA LEU A 21 17.695 37.786 11.740 1.00 3.10 C ATOM 279 C LEU A 21 17.456 36.362 11.248 1.00 53.44 C ATOM 280 O LEU A 21 18.252 35.818 10.483 1.00 11.31 O ATOM 281 CB LEU A 21 17.000 38.783 10.811 1.00 21.02 C ATOM 282 CG LEU A 21 16.286 39.951 11.493 1.00 21.52 C ATOM 283 CD1 LEU A 21 16.884 41.276 11.047 1.00 21.22 C ATOM 284 CD2 LEU A 21 14.794 39.910 11.197 1.00 61.22 C ATOM 0 H LEU A 21 19.706 37.490 11.219 1.00 13.42 H new ATOM 0 HA LEU A 21 17.276 37.880 12.742 1.00 3.10 H new ATOM 0 HB2 LEU A 21 17.743 39.189 10.125 1.00 21.02 H new ATOM 0 HB3 LEU A 21 16.272 38.240 10.208 1.00 21.02 H new ATOM 0 HG LEU A 21 16.425 39.858 12.570 1.00 21.52 H new ATOM 0 HD11 LEU A 21 16.363 42.095 11.543 1.00 21.22 H new ATOM 0 HD12 LEU A 21 17.941 41.305 11.311 1.00 21.22 H new ATOM 0 HD13 LEU A 21 16.777 41.378 9.967 1.00 21.22 H new ATOM 0 HD21 LEU A 21 14.302 40.748 11.690 1.00 61.22 H new ATOM 0 HD22 LEU A 21 14.635 39.978 10.121 1.00 61.22 H new ATOM 0 HD23 LEU A 21 14.375 38.974 11.568 1.00 61.22 H new ATOM 296 N GLN A 22 16.353 35.767 11.690 1.00 71.33 N ATOM 297 CA GLN A 22 16.008 34.407 11.292 1.00 22.22 C ATOM 298 C GLN A 22 14.618 34.358 10.668 1.00 53.14 C ATOM 299 O GLN A 22 13.742 35.149 11.018 1.00 63.31 O ATOM 300 CB GLN A 22 16.071 33.469 12.499 1.00 63.31 C ATOM 301 CG GLN A 22 15.409 34.034 13.745 1.00 53.44 C ATOM 302 CD GLN A 22 16.413 34.542 14.761 1.00 60.44 C ATOM 303 OE1 GLN A 22 16.335 35.685 15.210 1.00 42.41 O ATOM 304 NE2 GLN A 22 17.364 33.691 15.129 1.00 51.10 N ATOM 0 H GLN A 22 15.684 36.204 12.323 1.00 71.33 H new ATOM 0 HA GLN A 22 16.732 34.079 10.547 1.00 22.22 H new ATOM 0 HB2 GLN A 22 15.592 32.525 12.240 1.00 63.31 H new ATOM 0 HB3 GLN A 22 17.115 33.247 12.721 1.00 63.31 H new ATOM 0 HG2 GLN A 22 14.743 34.848 13.460 1.00 53.44 H new ATOM 0 HG3 GLN A 22 14.791 33.263 14.205 1.00 53.44 H new ATOM 0 HE21 GLN A 22 17.390 32.752 14.731 1.00 51.10 H new ATOM 0 HE22 GLN A 22 18.068 33.976 15.810 1.00 51.10 H new ATOM 313 N GLU A 23 14.423 33.425 9.741 1.00 52.11 N ATOM 314 CA GLU A 23 13.138 33.275 9.067 1.00 4.20 C ATOM 315 C GLU A 23 12.678 31.821 9.091 1.00 71.50 C ATOM 316 O GLU A 23 13.482 30.902 8.941 1.00 71.40 O ATOM 317 CB GLU A 23 13.235 33.767 7.621 1.00 3.24 C ATOM 318 CG GLU A 23 12.517 35.083 7.377 1.00 54.40 C ATOM 319 CD GLU A 23 13.468 36.213 7.033 1.00 63.42 C ATOM 320 OE1 GLU A 23 14.003 36.214 5.904 1.00 22.42 O ATOM 321 OE2 GLU A 23 13.678 37.095 7.891 1.00 23.32 O ATOM 0 H GLU A 23 15.138 32.762 9.440 1.00 52.11 H new ATOM 0 HA GLU A 23 12.404 33.879 9.600 1.00 4.20 H new ATOM 0 HB2 GLU A 23 14.286 33.881 7.355 1.00 3.24 H new ATOM 0 HB3 GLU A 23 12.819 33.008 6.959 1.00 3.24 H new ATOM 0 HG2 GLU A 23 11.801 34.956 6.565 1.00 54.40 H new ATOM 0 HG3 GLU A 23 11.947 35.351 8.266 1.00 54.40 H new ATOM 328 N ASN A 24 11.378 31.621 9.281 1.00 32.44 N ATOM 329 CA ASN A 24 10.809 30.278 9.326 1.00 5.34 C ATOM 330 C ASN A 24 10.323 29.847 7.946 1.00 12.02 C ATOM 331 O ASN A 24 9.745 30.641 7.204 1.00 55.01 O ATOM 332 CB ASN A 24 9.653 30.225 10.327 1.00 62.21 C ATOM 333 CG ASN A 24 9.893 31.109 11.535 1.00 20.15 C ATOM 334 OD1 ASN A 24 9.794 32.333 11.452 1.00 3.22 O ATOM 335 ND2 ASN A 24 10.210 30.491 12.667 1.00 64.50 N ATOM 0 H ASN A 24 10.698 32.371 9.406 1.00 32.44 H new ATOM 0 HA ASN A 24 11.590 29.589 9.647 1.00 5.34 H new ATOM 0 HB2 ASN A 24 8.733 30.534 9.831 1.00 62.21 H new ATOM 0 HB3 ASN A 24 9.508 29.196 10.656 1.00 62.21 H new ATOM 0 HD21 ASN A 24 10.382 31.034 13.513 1.00 64.50 H new ATOM 0 HD22 ASN A 24 10.281 29.474 12.690 1.00 64.50 H new ATOM 342 N PHE A 25 10.561 28.584 7.609 1.00 34.21 N ATOM 343 CA PHE A 25 10.147 28.046 6.318 1.00 1.31 C ATOM 344 C PHE A 25 9.074 26.975 6.493 1.00 5.23 C ATOM 345 O PHE A 25 8.921 26.404 7.573 1.00 1.12 O ATOM 346 CB PHE A 25 11.351 27.462 5.576 1.00 52.12 C ATOM 347 CG PHE A 25 11.788 28.288 4.400 1.00 64.31 C ATOM 348 CD1 PHE A 25 12.592 29.402 4.580 1.00 62.12 C ATOM 349 CD2 PHE A 25 11.396 27.949 3.115 1.00 44.42 C ATOM 350 CE1 PHE A 25 12.996 30.164 3.499 1.00 35.35 C ATOM 351 CE2 PHE A 25 11.797 28.707 2.030 1.00 1.35 C ATOM 352 CZ PHE A 25 12.599 29.815 2.223 1.00 14.42 C ATOM 0 H PHE A 25 11.038 27.914 8.212 1.00 34.21 H new ATOM 0 HA PHE A 25 9.727 28.862 5.730 1.00 1.31 H new ATOM 0 HB2 PHE A 25 12.184 27.365 6.272 1.00 52.12 H new ATOM 0 HB3 PHE A 25 11.104 26.457 5.233 1.00 52.12 H new ATOM 0 HD1 PHE A 25 12.907 29.678 5.576 1.00 62.12 H new ATOM 0 HD2 PHE A 25 10.770 27.083 2.959 1.00 44.42 H new ATOM 0 HE1 PHE A 25 13.621 31.031 3.652 1.00 35.35 H new ATOM 0 HE2 PHE A 25 11.484 28.433 1.033 1.00 1.35 H new ATOM 0 HZ PHE A 25 12.915 30.408 1.377 1.00 14.42 H new ATOM 362 N LYS A 26 8.333 26.708 5.423 1.00 5.02 N ATOM 363 CA LYS A 26 7.275 25.706 5.456 1.00 70.32 C ATOM 364 C LYS A 26 7.181 24.970 4.123 1.00 24.31 C ATOM 365 O LYS A 26 7.147 25.591 3.061 1.00 34.04 O ATOM 366 CB LYS A 26 5.932 26.363 5.783 1.00 21.30 C ATOM 367 CG LYS A 26 5.283 25.824 7.046 1.00 21.11 C ATOM 368 CD LYS A 26 4.735 24.422 6.837 1.00 53.31 C ATOM 369 CE LYS A 26 5.550 23.386 7.595 1.00 61.12 C ATOM 370 NZ LYS A 26 4.762 22.153 7.870 1.00 72.21 N ATOM 0 H LYS A 26 8.446 27.172 4.522 1.00 5.02 H new ATOM 0 HA LYS A 26 7.518 24.983 6.234 1.00 70.32 H new ATOM 0 HB2 LYS A 26 6.079 27.438 5.890 1.00 21.30 H new ATOM 0 HB3 LYS A 26 5.252 26.217 4.944 1.00 21.30 H new ATOM 0 HG2 LYS A 26 6.013 25.813 7.855 1.00 21.11 H new ATOM 0 HG3 LYS A 26 4.476 26.489 7.354 1.00 21.11 H new ATOM 0 HD2 LYS A 26 3.697 24.383 7.168 1.00 53.31 H new ATOM 0 HD3 LYS A 26 4.740 24.183 5.773 1.00 53.31 H new ATOM 0 HE2 LYS A 26 6.437 23.128 7.017 1.00 61.12 H new ATOM 0 HE3 LYS A 26 5.896 23.814 8.536 1.00 61.12 H new ATOM 0 HZ1 LYS A 26 5.353 21.472 8.388 1.00 72.21 H new ATOM 0 HZ2 LYS A 26 3.928 22.394 8.443 1.00 72.21 H new ATOM 0 HZ3 LYS A 26 4.454 21.730 6.971 1.00 72.21 H new ATOM 384 N ALA A 27 7.140 23.643 4.187 1.00 73.13 N ATOM 385 CA ALA A 27 7.046 22.823 2.985 1.00 4.01 C ATOM 386 C ALA A 27 6.070 21.668 3.183 1.00 41.43 C ATOM 387 O ALA A 27 6.101 20.983 4.205 1.00 21.23 O ATOM 388 CB ALA A 27 8.420 22.295 2.599 1.00 70.05 C ATOM 0 H ALA A 27 7.170 23.113 5.058 1.00 73.13 H new ATOM 0 HA ALA A 27 6.668 23.449 2.176 1.00 4.01 H new ATOM 0 HB1 ALA A 27 8.336 21.684 1.700 1.00 70.05 H new ATOM 0 HB2 ALA A 27 9.091 23.132 2.407 1.00 70.05 H new ATOM 0 HB3 ALA A 27 8.819 21.689 3.413 1.00 70.05 H new ATOM 394 N THR A 28 5.202 21.458 2.198 1.00 41.12 N ATOM 395 CA THR A 28 4.215 20.388 2.264 1.00 23.34 C ATOM 396 C THR A 28 4.425 19.376 1.144 1.00 25.41 C ATOM 397 O THR A 28 4.459 19.735 -0.032 1.00 64.20 O ATOM 398 CB THR A 28 2.780 20.941 2.179 1.00 61.34 C ATOM 399 OG1 THR A 28 2.790 22.360 2.365 1.00 42.40 O ATOM 400 CG2 THR A 28 1.887 20.293 3.226 1.00 1.01 C ATOM 0 H THR A 28 5.163 22.015 1.345 1.00 41.12 H new ATOM 0 HA THR A 28 4.349 19.894 3.226 1.00 23.34 H new ATOM 0 HB THR A 28 2.382 20.708 1.191 1.00 61.34 H new ATOM 0 HG1 THR A 28 1.874 22.704 2.308 1.00 42.40 H new ATOM 0 HG21 THR A 28 0.879 20.700 3.146 1.00 1.01 H new ATOM 0 HG22 THR A 28 1.858 19.216 3.063 1.00 1.01 H new ATOM 0 HG23 THR A 28 2.284 20.499 4.220 1.00 1.01 H new ATOM 408 N GLY A 29 4.566 18.107 1.517 1.00 13.02 N ATOM 409 CA GLY A 29 4.770 17.062 0.531 1.00 3.12 C ATOM 410 C GLY A 29 3.466 16.465 0.040 1.00 25.23 C ATOM 411 O GLY A 29 2.524 16.294 0.814 1.00 1.33 O ATOM 0 H GLY A 29 4.543 17.785 2.484 1.00 13.02 H new ATOM 0 HA2 GLY A 29 5.321 17.469 -0.317 1.00 3.12 H new ATOM 0 HA3 GLY A 29 5.387 16.274 0.964 1.00 3.12 H new ATOM 415 N ILE A 30 3.411 16.148 -1.249 1.00 21.22 N ATOM 416 CA ILE A 30 2.213 15.567 -1.841 1.00 73.03 C ATOM 417 C ILE A 30 2.465 14.134 -2.299 1.00 13.40 C ATOM 418 O ILE A 30 3.587 13.772 -2.651 1.00 4.00 O ATOM 419 CB ILE A 30 1.718 16.398 -3.040 1.00 63.44 C ATOM 420 CG1 ILE A 30 1.668 17.882 -2.674 1.00 52.31 C ATOM 421 CG2 ILE A 30 0.350 15.911 -3.493 1.00 53.32 C ATOM 422 CD1 ILE A 30 0.680 18.200 -1.573 1.00 64.21 C ATOM 0 H ILE A 30 4.182 16.284 -1.903 1.00 21.22 H new ATOM 0 HA ILE A 30 1.446 15.568 -1.067 1.00 73.03 H new ATOM 0 HB ILE A 30 2.418 16.271 -3.865 1.00 63.44 H new ATOM 0 HG12 ILE A 30 2.662 18.205 -2.364 1.00 52.31 H new ATOM 0 HG13 ILE A 30 1.408 18.458 -3.562 1.00 52.31 H new ATOM 0 HG21 ILE A 30 0.014 16.508 -4.341 1.00 53.32 H new ATOM 0 HG22 ILE A 30 0.416 14.864 -3.790 1.00 53.32 H new ATOM 0 HG23 ILE A 30 -0.362 16.011 -2.674 1.00 53.32 H new ATOM 0 HD11 ILE A 30 0.698 19.270 -1.366 1.00 64.21 H new ATOM 0 HD12 ILE A 30 -0.322 17.908 -1.888 1.00 64.21 H new ATOM 0 HD13 ILE A 30 0.951 17.651 -0.671 1.00 64.21 H new ATOM 434 N PHE A 31 1.412 13.323 -2.293 1.00 51.42 N ATOM 435 CA PHE A 31 1.518 11.930 -2.709 1.00 22.43 C ATOM 436 C PHE A 31 0.457 11.590 -3.751 1.00 14.31 C ATOM 437 O PHE A 31 -0.570 12.263 -3.850 1.00 75.44 O ATOM 438 CB PHE A 31 1.377 11.003 -1.500 1.00 33.25 C ATOM 439 CG PHE A 31 2.528 11.090 -0.539 1.00 64.13 C ATOM 440 CD1 PHE A 31 2.723 12.227 0.228 1.00 63.00 C ATOM 441 CD2 PHE A 31 3.416 10.035 -0.404 1.00 64.15 C ATOM 442 CE1 PHE A 31 3.782 12.310 1.113 1.00 51.32 C ATOM 443 CE2 PHE A 31 4.476 10.112 0.479 1.00 44.31 C ATOM 444 CZ PHE A 31 4.660 11.252 1.238 1.00 62.24 C ATOM 0 H PHE A 31 0.476 13.607 -2.005 1.00 51.42 H new ATOM 0 HA PHE A 31 2.501 11.785 -3.157 1.00 22.43 H new ATOM 0 HB2 PHE A 31 0.455 11.245 -0.972 1.00 33.25 H new ATOM 0 HB3 PHE A 31 1.283 9.975 -1.850 1.00 33.25 H new ATOM 0 HD1 PHE A 31 2.040 13.058 0.134 1.00 63.00 H new ATOM 0 HD2 PHE A 31 3.278 9.142 -0.996 1.00 64.15 H new ATOM 0 HE1 PHE A 31 3.922 13.202 1.706 1.00 51.32 H new ATOM 0 HE2 PHE A 31 5.160 9.282 0.576 1.00 44.31 H new ATOM 0 HZ PHE A 31 5.489 11.315 1.927 1.00 62.24 H new ATOM 454 N THR A 32 0.712 10.542 -4.527 1.00 70.24 N ATOM 455 CA THR A 32 -0.219 10.113 -5.563 1.00 52.24 C ATOM 456 C THR A 32 -1.503 9.561 -4.955 1.00 11.45 C ATOM 457 O THR A 32 -2.501 9.375 -5.651 1.00 33.14 O ATOM 458 CB THR A 32 0.407 9.039 -6.472 1.00 44.15 C ATOM 459 OG1 THR A 32 1.692 9.474 -6.931 1.00 41.22 O ATOM 460 CG2 THR A 32 -0.491 8.748 -7.665 1.00 40.52 C ATOM 0 H THR A 32 1.556 9.974 -4.458 1.00 70.24 H new ATOM 0 HA THR A 32 -0.453 10.994 -6.161 1.00 52.24 H new ATOM 0 HB THR A 32 0.519 8.124 -5.891 1.00 44.15 H new ATOM 0 HG1 THR A 32 2.305 9.543 -6.170 1.00 41.22 H new ATOM 0 HG21 THR A 32 -0.027 7.986 -8.292 1.00 40.52 H new ATOM 0 HG22 THR A 32 -1.458 8.389 -7.313 1.00 40.52 H new ATOM 0 HG23 THR A 32 -0.632 9.660 -8.246 1.00 40.52 H new ATOM 468 N ASP A 33 -1.471 9.303 -3.652 1.00 20.30 N ATOM 469 CA ASP A 33 -2.634 8.774 -2.949 1.00 23.44 C ATOM 470 C ASP A 33 -3.514 9.905 -2.425 1.00 65.34 C ATOM 471 O ASP A 33 -4.382 9.689 -1.581 1.00 62.11 O ATOM 472 CB ASP A 33 -2.192 7.877 -1.791 1.00 2.33 C ATOM 473 CG ASP A 33 -3.345 7.101 -1.187 1.00 33.14 C ATOM 474 OD1 ASP A 33 -4.372 6.931 -1.877 1.00 1.41 O ATOM 475 OD2 ASP A 33 -3.222 6.664 -0.023 1.00 61.52 O ATOM 0 H ASP A 33 -0.653 9.452 -3.062 1.00 20.30 H new ATOM 0 HA ASP A 33 -3.216 8.182 -3.655 1.00 23.44 H new ATOM 0 HB2 ASP A 33 -1.434 7.179 -2.145 1.00 2.33 H new ATOM 0 HB3 ASP A 33 -1.726 8.489 -1.019 1.00 2.33 H new ATOM 480 N ASN A 34 -3.281 11.111 -2.932 1.00 53.15 N ATOM 481 CA ASN A 34 -4.052 12.277 -2.515 1.00 23.10 C ATOM 482 C ASN A 34 -3.828 12.575 -1.035 1.00 54.15 C ATOM 483 O ASN A 34 -4.590 13.322 -0.420 1.00 64.24 O ATOM 484 CB ASN A 34 -5.541 12.052 -2.782 1.00 53.23 C ATOM 485 CG ASN A 34 -5.787 11.229 -4.032 1.00 23.21 C ATOM 486 OD1 ASN A 34 -5.318 11.572 -5.117 1.00 44.31 O ATOM 487 ND2 ASN A 34 -6.525 10.135 -3.884 1.00 54.31 N ATOM 0 H ASN A 34 -2.565 11.307 -3.632 1.00 53.15 H new ATOM 0 HA ASN A 34 -3.712 13.134 -3.096 1.00 23.10 H new ATOM 0 HB2 ASN A 34 -5.989 11.549 -1.925 1.00 53.23 H new ATOM 0 HB3 ASN A 34 -6.039 13.016 -2.881 1.00 53.23 H new ATOM 0 HD21 ASN A 34 -6.723 9.541 -4.689 1.00 54.31 H new ATOM 0 HD22 ASN A 34 -6.894 9.889 -2.965 1.00 54.31 H new ATOM 494 N SER A 35 -2.779 11.987 -0.471 1.00 20.44 N ATOM 495 CA SER A 35 -2.457 12.186 0.937 1.00 3.45 C ATOM 496 C SER A 35 -1.191 13.024 1.091 1.00 25.55 C ATOM 497 O SER A 35 -0.083 12.542 0.857 1.00 1.21 O ATOM 498 CB SER A 35 -2.279 10.838 1.638 1.00 65.01 C ATOM 499 OG SER A 35 -3.442 10.484 2.365 1.00 21.53 O ATOM 0 H SER A 35 -2.137 11.369 -0.967 1.00 20.44 H new ATOM 0 HA SER A 35 -3.285 12.721 1.401 1.00 3.45 H new ATOM 0 HB2 SER A 35 -2.059 10.067 0.900 1.00 65.01 H new ATOM 0 HB3 SER A 35 -1.425 10.886 2.313 1.00 65.01 H new ATOM 0 HG SER A 35 -3.303 9.618 2.802 1.00 21.53 H new ATOM 505 N ASN A 36 -1.364 14.280 1.487 1.00 13.34 N ATOM 506 CA ASN A 36 -0.236 15.186 1.673 1.00 54.24 C ATOM 507 C ASN A 36 0.254 15.156 3.117 1.00 0.10 C ATOM 508 O ASN A 36 -0.541 15.052 4.051 1.00 1.42 O ATOM 509 CB ASN A 36 -0.632 16.613 1.286 1.00 33.33 C ATOM 510 CG ASN A 36 -1.482 16.657 0.031 1.00 33.12 C ATOM 511 OD1 ASN A 36 -1.398 15.772 -0.821 1.00 2.14 O ATOM 512 ND2 ASN A 36 -2.307 17.691 -0.088 1.00 72.33 N ATOM 0 H ASN A 36 -2.275 14.694 1.686 1.00 13.34 H new ATOM 0 HA ASN A 36 0.576 14.853 1.026 1.00 54.24 H new ATOM 0 HB2 ASN A 36 -1.180 17.071 2.109 1.00 33.33 H new ATOM 0 HB3 ASN A 36 0.268 17.208 1.133 1.00 33.33 H new ATOM 0 HD21 ASN A 36 -2.904 17.775 -0.911 1.00 72.33 H new ATOM 0 HD22 ASN A 36 -2.343 18.401 0.643 1.00 72.33 H new ATOM 519 N SER A 37 1.568 15.248 3.292 1.00 4.01 N ATOM 520 CA SER A 37 2.166 15.228 4.622 1.00 13.22 C ATOM 521 C SER A 37 3.218 16.324 4.761 1.00 25.33 C ATOM 522 O SER A 37 3.830 16.741 3.778 1.00 71.14 O ATOM 523 CB SER A 37 2.795 13.862 4.901 1.00 31.05 C ATOM 524 OG SER A 37 1.810 12.844 4.936 1.00 15.24 O ATOM 0 H SER A 37 2.239 15.337 2.529 1.00 4.01 H new ATOM 0 HA SER A 37 1.377 15.412 5.351 1.00 13.22 H new ATOM 0 HB2 SER A 37 3.531 13.633 4.131 1.00 31.05 H new ATOM 0 HB3 SER A 37 3.327 13.891 5.852 1.00 31.05 H new ATOM 0 HG SER A 37 2.238 11.981 5.114 1.00 15.24 H new ATOM 530 N ASP A 38 3.424 16.785 5.990 1.00 61.10 N ATOM 531 CA ASP A 38 4.403 17.831 6.260 1.00 44.31 C ATOM 532 C ASP A 38 5.780 17.231 6.530 1.00 35.01 C ATOM 533 O ASP A 38 5.911 16.276 7.296 1.00 23.02 O ATOM 534 CB ASP A 38 3.960 18.679 7.453 1.00 32.13 C ATOM 535 CG ASP A 38 3.910 17.883 8.742 1.00 31.44 C ATOM 536 OD1 ASP A 38 3.758 16.645 8.669 1.00 14.55 O ATOM 537 OD2 ASP A 38 4.022 18.497 9.824 1.00 21.33 O ATOM 0 H ASP A 38 2.926 16.451 6.815 1.00 61.10 H new ATOM 0 HA ASP A 38 4.470 18.467 5.377 1.00 44.31 H new ATOM 0 HB2 ASP A 38 4.646 19.518 7.574 1.00 32.13 H new ATOM 0 HB3 ASP A 38 2.975 19.099 7.250 1.00 32.13 H new ATOM 542 N ILE A 39 6.801 17.796 5.895 1.00 11.45 N ATOM 543 CA ILE A 39 8.166 17.317 6.068 1.00 65.33 C ATOM 544 C ILE A 39 8.196 15.808 6.286 1.00 32.12 C ATOM 545 O ILE A 39 8.875 15.312 7.186 1.00 40.11 O ATOM 546 CB ILE A 39 8.861 18.010 7.255 1.00 60.31 C ATOM 547 CG1 ILE A 39 8.118 17.705 8.557 1.00 13.31 C ATOM 548 CG2 ILE A 39 8.938 19.511 7.021 1.00 73.02 C ATOM 549 CD1 ILE A 39 7.026 18.702 8.877 1.00 2.41 C ATOM 0 H ILE A 39 6.709 18.586 5.256 1.00 11.45 H new ATOM 0 HA ILE A 39 8.703 17.560 5.151 1.00 65.33 H new ATOM 0 HB ILE A 39 9.877 17.623 7.339 1.00 60.31 H new ATOM 0 HG12 ILE A 39 7.681 16.708 8.492 1.00 13.31 H new ATOM 0 HG13 ILE A 39 8.834 17.686 9.379 1.00 13.31 H new ATOM 0 HG21 ILE A 39 9.432 19.987 7.869 1.00 73.02 H new ATOM 0 HG22 ILE A 39 9.506 19.709 6.112 1.00 73.02 H new ATOM 0 HG23 ILE A 39 7.931 19.915 6.914 1.00 73.02 H new ATOM 0 HD11 ILE A 39 6.542 18.424 9.813 1.00 2.41 H new ATOM 0 HD12 ILE A 39 7.459 19.697 8.975 1.00 2.41 H new ATOM 0 HD13 ILE A 39 6.289 18.704 8.074 1.00 2.41 H new ATOM 561 N THR A 40 7.455 15.081 5.456 1.00 61.55 N ATOM 562 CA THR A 40 7.396 13.628 5.557 1.00 62.22 C ATOM 563 C THR A 40 8.740 12.998 5.209 1.00 31.51 C ATOM 564 O THR A 40 9.182 12.053 5.864 1.00 14.54 O ATOM 565 CB THR A 40 6.313 13.044 4.631 1.00 70.44 C ATOM 566 OG1 THR A 40 6.311 11.614 4.720 1.00 52.41 O ATOM 567 CG2 THR A 40 6.549 13.466 3.188 1.00 14.34 C ATOM 0 H THR A 40 6.887 15.475 4.706 1.00 61.55 H new ATOM 0 HA THR A 40 7.144 13.393 6.591 1.00 62.22 H new ATOM 0 HB THR A 40 5.345 13.430 4.952 1.00 70.44 H new ATOM 0 HG1 THR A 40 5.619 11.250 4.129 1.00 52.41 H new ATOM 0 HG21 THR A 40 5.772 13.041 2.553 1.00 14.34 H new ATOM 0 HG22 THR A 40 6.521 14.553 3.118 1.00 14.34 H new ATOM 0 HG23 THR A 40 7.524 13.106 2.858 1.00 14.34 H new ATOM 575 N ASP A 41 9.386 13.525 4.175 1.00 12.43 N ATOM 576 CA ASP A 41 10.681 13.015 3.742 1.00 42.15 C ATOM 577 C ASP A 41 11.818 13.816 4.368 1.00 23.15 C ATOM 578 O ASP A 41 12.987 13.610 4.044 1.00 62.45 O ATOM 579 CB ASP A 41 10.788 13.063 2.217 1.00 55.05 C ATOM 580 CG ASP A 41 10.621 11.697 1.581 1.00 35.43 C ATOM 581 OD1 ASP A 41 11.373 10.773 1.955 1.00 1.12 O ATOM 582 OD2 ASP A 41 9.738 11.551 0.710 1.00 72.03 O ATOM 0 H ASP A 41 9.034 14.306 3.621 1.00 12.43 H new ATOM 0 HA ASP A 41 10.764 11.980 4.073 1.00 42.15 H new ATOM 0 HB2 ASP A 41 10.029 13.739 1.824 1.00 55.05 H new ATOM 0 HB3 ASP A 41 11.757 13.475 1.937 1.00 55.05 H new ATOM 587 N GLN A 42 11.466 14.730 5.267 1.00 24.20 N ATOM 588 CA GLN A 42 12.458 15.563 5.938 1.00 71.54 C ATOM 589 C GLN A 42 13.222 16.416 4.931 1.00 3.11 C ATOM 590 O GLN A 42 14.324 16.062 4.510 1.00 33.45 O ATOM 591 CB GLN A 42 13.434 14.692 6.731 1.00 73.42 C ATOM 592 CG GLN A 42 13.134 14.643 8.220 1.00 15.22 C ATOM 593 CD GLN A 42 11.653 14.500 8.513 1.00 70.22 C ATOM 594 OE1 GLN A 42 11.056 13.454 8.256 1.00 22.43 O ATOM 595 NE2 GLN A 42 11.051 15.553 9.053 1.00 42.00 N ATOM 0 H GLN A 42 10.502 14.912 5.547 1.00 24.20 H new ATOM 0 HA GLN A 42 11.934 16.227 6.626 1.00 71.54 H new ATOM 0 HB2 GLN A 42 13.411 13.678 6.331 1.00 73.42 H new ATOM 0 HB3 GLN A 42 14.446 15.070 6.585 1.00 73.42 H new ATOM 0 HG2 GLN A 42 13.671 13.807 8.668 1.00 15.22 H new ATOM 0 HG3 GLN A 42 13.508 15.552 8.692 1.00 15.22 H new ATOM 0 HE21 GLN A 42 11.584 16.400 9.250 1.00 42.00 H new ATOM 0 HE22 GLN A 42 10.055 15.515 9.271 1.00 42.00 H new ATOM 604 N VAL A 43 12.630 17.543 4.548 1.00 44.00 N ATOM 605 CA VAL A 43 13.256 18.448 3.591 1.00 11.01 C ATOM 606 C VAL A 43 14.691 18.767 3.994 1.00 41.50 C ATOM 607 O VAL A 43 14.979 19.017 5.165 1.00 13.12 O ATOM 608 CB VAL A 43 12.465 19.764 3.463 1.00 22.43 C ATOM 609 CG1 VAL A 43 12.560 20.571 4.749 1.00 35.53 C ATOM 610 CG2 VAL A 43 12.968 20.574 2.278 1.00 74.32 C ATOM 0 H VAL A 43 11.718 17.851 4.886 1.00 44.00 H new ATOM 0 HA VAL A 43 13.257 17.939 2.627 1.00 11.01 H new ATOM 0 HB VAL A 43 11.416 19.522 3.290 1.00 22.43 H new ATOM 0 HG11 VAL A 43 11.995 21.497 4.640 1.00 35.53 H new ATOM 0 HG12 VAL A 43 12.148 19.990 5.574 1.00 35.53 H new ATOM 0 HG13 VAL A 43 13.604 20.805 4.955 1.00 35.53 H new ATOM 0 HG21 VAL A 43 12.398 21.500 2.202 1.00 74.32 H new ATOM 0 HG22 VAL A 43 14.023 20.808 2.419 1.00 74.32 H new ATOM 0 HG23 VAL A 43 12.843 19.996 1.363 1.00 74.32 H new ATOM 620 N THR A 44 15.591 18.759 3.015 1.00 32.42 N ATOM 621 CA THR A 44 16.997 19.047 3.267 1.00 20.30 C ATOM 622 C THR A 44 17.261 20.548 3.256 1.00 23.01 C ATOM 623 O THR A 44 16.924 21.240 2.295 1.00 31.15 O ATOM 624 CB THR A 44 17.905 18.370 2.223 1.00 31.50 C ATOM 625 OG1 THR A 44 17.210 17.282 1.601 1.00 5.54 O ATOM 626 CG2 THR A 44 19.184 17.858 2.869 1.00 72.04 C ATOM 0 H THR A 44 15.370 18.556 2.040 1.00 32.42 H new ATOM 0 HA THR A 44 17.230 18.647 4.254 1.00 20.30 H new ATOM 0 HB THR A 44 18.169 19.111 1.468 1.00 31.50 H new ATOM 0 HG1 THR A 44 17.793 16.858 0.937 1.00 5.54 H new ATOM 0 HG21 THR A 44 19.809 17.384 2.112 1.00 72.04 H new ATOM 0 HG22 THR A 44 19.725 18.692 3.316 1.00 72.04 H new ATOM 0 HG23 THR A 44 18.935 17.131 3.642 1.00 72.04 H new ATOM 634 N TRP A 45 17.866 21.045 4.329 1.00 65.14 N ATOM 635 CA TRP A 45 18.177 22.466 4.441 1.00 34.34 C ATOM 636 C TRP A 45 19.642 22.731 4.113 1.00 32.24 C ATOM 637 O TRP A 45 20.531 22.020 4.583 1.00 11.40 O ATOM 638 CB TRP A 45 17.858 22.968 5.850 1.00 14.04 C ATOM 639 CG TRP A 45 18.443 22.113 6.933 1.00 62.52 C ATOM 640 CD1 TRP A 45 17.844 21.055 7.556 1.00 0.54 C ATOM 641 CD2 TRP A 45 19.743 22.243 7.520 1.00 55.22 C ATOM 642 NE1 TRP A 45 18.693 20.521 8.496 1.00 53.23 N ATOM 643 CE2 TRP A 45 19.864 21.231 8.492 1.00 0.32 C ATOM 644 CE3 TRP A 45 20.816 23.115 7.317 1.00 33.03 C ATOM 645 CZ2 TRP A 45 21.015 21.071 9.259 1.00 61.41 C ATOM 646 CZ3 TRP A 45 21.957 22.954 8.079 1.00 3.32 C ATOM 647 CH2 TRP A 45 22.050 21.938 9.040 1.00 43.33 C ATOM 0 H TRP A 45 18.151 20.486 5.133 1.00 65.14 H new ATOM 0 HA TRP A 45 17.561 23.005 3.722 1.00 34.34 H new ATOM 0 HB2 TRP A 45 18.233 23.986 5.959 1.00 14.04 H new ATOM 0 HB3 TRP A 45 16.776 23.011 5.976 1.00 14.04 H new ATOM 0 HD1 TRP A 45 16.850 20.692 7.342 1.00 0.54 H new ATOM 0 HE1 TRP A 45 18.485 19.725 9.099 1.00 53.23 H new ATOM 0 HE3 TRP A 45 20.754 23.900 6.578 1.00 33.03 H new ATOM 0 HZ2 TRP A 45 21.088 20.290 10.001 1.00 61.41 H new ATOM 0 HZ3 TRP A 45 22.792 23.623 7.932 1.00 3.32 H new ATOM 0 HH2 TRP A 45 22.956 21.838 9.619 1.00 43.33 H new ATOM 658 N ASP A 46 19.886 23.757 3.306 1.00 64.44 N ATOM 659 CA ASP A 46 21.245 24.116 2.916 1.00 21.11 C ATOM 660 C ASP A 46 21.348 25.608 2.617 1.00 11.31 C ATOM 661 O ASP A 46 20.418 26.209 2.079 1.00 41.22 O ATOM 662 CB ASP A 46 21.678 23.307 1.693 1.00 65.04 C ATOM 663 CG ASP A 46 22.450 22.057 2.068 1.00 11.25 C ATOM 664 OD1 ASP A 46 23.680 22.155 2.265 1.00 75.02 O ATOM 665 OD2 ASP A 46 21.824 20.981 2.167 1.00 11.31 O ATOM 0 H ASP A 46 19.161 24.355 2.909 1.00 64.44 H new ATOM 0 HA ASP A 46 21.909 23.884 3.749 1.00 21.11 H new ATOM 0 HB2 ASP A 46 20.797 23.027 1.116 1.00 65.04 H new ATOM 0 HB3 ASP A 46 22.296 23.932 1.048 1.00 65.04 H new ATOM 670 N SER A 47 22.484 26.201 2.971 1.00 71.30 N ATOM 671 CA SER A 47 22.706 27.624 2.745 1.00 5.01 C ATOM 672 C SER A 47 24.030 27.859 2.023 1.00 11.14 C ATOM 673 O SER A 47 24.984 27.099 2.190 1.00 40.40 O ATOM 674 CB SER A 47 22.696 28.381 4.075 1.00 62.33 C ATOM 675 OG SER A 47 22.234 29.709 3.902 1.00 41.11 O ATOM 0 H SER A 47 23.265 25.718 3.415 1.00 71.30 H new ATOM 0 HA SER A 47 21.898 27.998 2.116 1.00 5.01 H new ATOM 0 HB2 SER A 47 22.057 27.860 4.789 1.00 62.33 H new ATOM 0 HB3 SER A 47 23.701 28.394 4.497 1.00 62.33 H new ATOM 0 HG SER A 47 21.533 29.900 4.560 1.00 41.11 H new ATOM 681 N SER A 48 24.079 28.917 1.221 1.00 41.44 N ATOM 682 CA SER A 48 25.283 29.252 0.470 1.00 65.24 C ATOM 683 C SER A 48 26.389 29.735 1.403 1.00 0.51 C ATOM 684 O SER A 48 27.574 29.593 1.105 1.00 1.04 O ATOM 685 CB SER A 48 24.976 30.326 -0.575 1.00 45.24 C ATOM 686 OG SER A 48 26.084 30.532 -1.436 1.00 14.04 O ATOM 0 H SER A 48 23.299 29.557 1.074 1.00 41.44 H new ATOM 0 HA SER A 48 25.627 28.351 -0.037 1.00 65.24 H new ATOM 0 HB2 SER A 48 24.106 30.029 -1.161 1.00 45.24 H new ATOM 0 HB3 SER A 48 24.720 31.261 -0.076 1.00 45.24 H new ATOM 0 HG SER A 48 25.862 31.222 -2.096 1.00 14.04 H new ATOM 692 N ASN A 49 25.991 30.308 2.534 1.00 0.44 N ATOM 693 CA ASN A 49 26.947 30.814 3.513 1.00 42.34 C ATOM 694 C ASN A 49 27.728 31.997 2.948 1.00 2.23 C ATOM 695 O ASN A 49 28.011 32.055 1.751 1.00 12.40 O ATOM 696 CB ASN A 49 27.913 29.705 3.933 1.00 23.02 C ATOM 697 CG ASN A 49 28.648 30.035 5.218 1.00 31.44 C ATOM 698 OD1 ASN A 49 29.835 30.360 5.202 1.00 40.11 O ATOM 699 ND2 ASN A 49 27.943 29.951 6.341 1.00 51.23 N ATOM 0 H ASN A 49 25.013 30.434 2.796 1.00 0.44 H new ATOM 0 HA ASN A 49 26.391 31.152 4.387 1.00 42.34 H new ATOM 0 HB2 ASN A 49 27.360 28.775 4.063 1.00 23.02 H new ATOM 0 HB3 ASN A 49 28.637 29.537 3.136 1.00 23.02 H new ATOM 0 HD21 ASN A 49 28.384 30.160 7.237 1.00 51.23 H new ATOM 0 HD22 ASN A 49 26.961 29.678 6.307 1.00 51.23 H new ATOM 706 N THR A 50 28.075 32.940 3.819 1.00 24.22 N ATOM 707 CA THR A 50 28.823 34.122 3.409 1.00 61.41 C ATOM 708 C THR A 50 29.803 34.556 4.493 1.00 53.31 C ATOM 709 O THR A 50 31.017 34.519 4.296 1.00 5.23 O ATOM 710 CB THR A 50 27.882 35.296 3.082 1.00 11.43 C ATOM 711 OG1 THR A 50 26.926 34.898 2.094 1.00 73.13 O ATOM 712 CG2 THR A 50 28.669 36.497 2.579 1.00 63.33 C ATOM 0 H THR A 50 27.850 32.908 4.813 1.00 24.22 H new ATOM 0 HA THR A 50 29.377 33.850 2.511 1.00 61.41 H new ATOM 0 HB THR A 50 27.361 35.580 3.996 1.00 11.43 H new ATOM 0 HG1 THR A 50 26.331 35.650 1.893 1.00 73.13 H new ATOM 0 HG21 THR A 50 27.983 37.314 2.355 1.00 63.33 H new ATOM 0 HG22 THR A 50 29.375 36.816 3.346 1.00 63.33 H new ATOM 0 HG23 THR A 50 29.214 36.223 1.676 1.00 63.33 H new ATOM 720 N ASP A 51 29.267 34.967 5.637 1.00 4.41 N ATOM 721 CA ASP A 51 30.095 35.408 6.754 1.00 62.21 C ATOM 722 C ASP A 51 29.837 34.554 7.991 1.00 23.34 C ATOM 723 O ASP A 51 30.769 34.179 8.704 1.00 1.21 O ATOM 724 CB ASP A 51 29.823 36.880 7.069 1.00 61.50 C ATOM 725 CG ASP A 51 31.059 37.604 7.565 1.00 63.41 C ATOM 726 OD1 ASP A 51 31.974 36.930 8.084 1.00 61.54 O ATOM 727 OD2 ASP A 51 31.112 38.844 7.434 1.00 44.13 O ATOM 0 H ASP A 51 28.263 35.004 5.815 1.00 4.41 H new ATOM 0 HA ASP A 51 31.140 35.294 6.467 1.00 62.21 H new ATOM 0 HB2 ASP A 51 29.449 37.377 6.174 1.00 61.50 H new ATOM 0 HB3 ASP A 51 29.039 36.948 7.823 1.00 61.50 H new ATOM 732 N ILE A 52 28.568 34.251 8.241 1.00 71.33 N ATOM 733 CA ILE A 52 28.188 33.441 9.392 1.00 42.22 C ATOM 734 C ILE A 52 26.678 33.234 9.444 1.00 64.51 C ATOM 735 O ILE A 52 25.925 34.154 9.764 1.00 73.30 O ATOM 736 CB ILE A 52 28.652 34.086 10.711 1.00 2.02 C ATOM 737 CG1 ILE A 52 28.095 33.311 11.907 1.00 55.02 C ATOM 738 CG2 ILE A 52 28.220 35.543 10.769 1.00 15.43 C ATOM 739 CD1 ILE A 52 29.103 33.102 13.015 1.00 53.10 C ATOM 0 H ILE A 52 27.785 34.554 7.662 1.00 71.33 H new ATOM 0 HA ILE A 52 28.681 32.476 9.276 1.00 42.22 H new ATOM 0 HB ILE A 52 29.741 34.049 10.753 1.00 2.02 H new ATOM 0 HG12 ILE A 52 27.234 33.846 12.307 1.00 55.02 H new ATOM 0 HG13 ILE A 52 27.737 32.340 11.565 1.00 55.02 H new ATOM 0 HG21 ILE A 52 28.555 35.985 11.707 1.00 15.43 H new ATOM 0 HG22 ILE A 52 28.661 36.087 9.934 1.00 15.43 H new ATOM 0 HG23 ILE A 52 27.133 35.603 10.708 1.00 15.43 H new ATOM 0 HD11 ILE A 52 28.639 32.546 13.829 1.00 53.10 H new ATOM 0 HD12 ILE A 52 29.954 32.540 12.631 1.00 53.10 H new ATOM 0 HD13 ILE A 52 29.444 34.069 13.384 1.00 53.10 H new ATOM 751 N LEU A 53 26.243 32.019 9.129 1.00 32.30 N ATOM 752 CA LEU A 53 24.822 31.688 9.142 1.00 51.34 C ATOM 753 C LEU A 53 24.613 30.189 9.330 1.00 41.14 C ATOM 754 O LEU A 53 25.363 29.375 8.791 1.00 42.42 O ATOM 755 CB LEU A 53 24.160 32.148 7.842 1.00 72.15 C ATOM 756 CG LEU A 53 24.821 31.673 6.547 1.00 34.41 C ATOM 757 CD1 LEU A 53 24.296 30.301 6.152 1.00 14.02 C ATOM 758 CD2 LEU A 53 24.587 32.678 5.429 1.00 72.54 C ATOM 0 H LEU A 53 26.853 31.247 8.862 1.00 32.30 H new ATOM 0 HA LEU A 53 24.361 32.208 9.982 1.00 51.34 H new ATOM 0 HB2 LEU A 53 23.125 31.807 7.844 1.00 72.15 H new ATOM 0 HB3 LEU A 53 24.136 33.238 7.836 1.00 72.15 H new ATOM 0 HG LEU A 53 25.895 31.593 6.717 1.00 34.41 H new ATOM 0 HD11 LEU A 53 24.777 29.979 5.229 1.00 14.02 H new ATOM 0 HD12 LEU A 53 24.516 29.585 6.944 1.00 14.02 H new ATOM 0 HD13 LEU A 53 23.218 30.354 6.000 1.00 14.02 H new ATOM 0 HD21 LEU A 53 25.064 32.324 4.515 1.00 72.54 H new ATOM 0 HD22 LEU A 53 23.516 32.790 5.259 1.00 72.54 H new ATOM 0 HD23 LEU A 53 25.013 33.641 5.711 1.00 72.54 H new ATOM 770 N SER A 54 23.588 29.831 10.096 1.00 53.20 N ATOM 771 CA SER A 54 23.281 28.430 10.356 1.00 33.44 C ATOM 772 C SER A 54 21.778 28.179 10.279 1.00 52.23 C ATOM 773 O SER A 54 20.977 28.997 10.733 1.00 41.34 O ATOM 774 CB SER A 54 23.807 28.017 11.732 1.00 5.43 C ATOM 775 OG SER A 54 23.983 26.613 11.812 1.00 51.44 O ATOM 0 H SER A 54 22.956 30.492 10.548 1.00 53.20 H new ATOM 0 HA SER A 54 23.772 27.829 9.591 1.00 33.44 H new ATOM 0 HB2 SER A 54 24.756 28.517 11.927 1.00 5.43 H new ATOM 0 HB3 SER A 54 23.110 28.344 12.504 1.00 5.43 H new ATOM 0 HG SER A 54 24.321 26.376 12.701 1.00 51.44 H new ATOM 781 N ILE A 55 21.403 27.043 9.700 1.00 12.25 N ATOM 782 CA ILE A 55 19.997 26.684 9.564 1.00 72.11 C ATOM 783 C ILE A 55 19.672 25.423 10.358 1.00 40.12 C ATOM 784 O ILE A 55 20.349 24.403 10.227 1.00 54.21 O ATOM 785 CB ILE A 55 19.613 26.461 8.089 1.00 3.30 C ATOM 786 CG1 ILE A 55 20.045 27.659 7.241 1.00 40.23 C ATOM 787 CG2 ILE A 55 18.116 26.227 7.961 1.00 74.32 C ATOM 788 CD1 ILE A 55 19.639 27.549 5.788 1.00 75.31 C ATOM 0 H ILE A 55 22.053 26.356 9.318 1.00 12.25 H new ATOM 0 HA ILE A 55 19.419 27.519 9.960 1.00 72.11 H new ATOM 0 HB ILE A 55 20.132 25.575 7.724 1.00 3.30 H new ATOM 0 HG12 ILE A 55 19.613 28.567 7.663 1.00 40.23 H new ATOM 0 HG13 ILE A 55 21.128 27.764 7.300 1.00 40.23 H new ATOM 0 HG21 ILE A 55 17.860 26.071 6.913 1.00 74.32 H new ATOM 0 HG22 ILE A 55 17.835 25.346 8.538 1.00 74.32 H new ATOM 0 HG23 ILE A 55 17.578 27.096 8.340 1.00 74.32 H new ATOM 0 HD11 ILE A 55 19.978 28.433 5.248 1.00 75.31 H new ATOM 0 HD12 ILE A 55 20.092 26.660 5.350 1.00 75.31 H new ATOM 0 HD13 ILE A 55 18.554 27.475 5.718 1.00 75.31 H new ATOM 800 N SER A 56 18.631 25.500 11.180 1.00 12.24 N ATOM 801 CA SER A 56 18.217 24.366 11.998 1.00 74.34 C ATOM 802 C SER A 56 16.782 23.958 11.674 1.00 3.33 C ATOM 803 O SER A 56 15.838 24.692 11.960 1.00 14.44 O ATOM 804 CB SER A 56 18.339 24.709 13.483 1.00 33.25 C ATOM 805 OG SER A 56 19.660 24.496 13.949 1.00 1.30 O ATOM 0 H SER A 56 18.058 26.336 11.297 1.00 12.24 H new ATOM 0 HA SER A 56 18.875 23.527 11.772 1.00 74.34 H new ATOM 0 HB2 SER A 56 18.057 25.750 13.643 1.00 33.25 H new ATOM 0 HB3 SER A 56 17.644 24.098 14.059 1.00 33.25 H new ATOM 0 HG SER A 56 19.712 24.724 14.901 1.00 1.30 H new ATOM 811 N ASN A 57 16.629 22.782 11.076 1.00 72.45 N ATOM 812 CA ASN A 57 15.310 22.275 10.712 1.00 43.30 C ATOM 813 C ASN A 57 15.225 20.769 10.936 1.00 65.52 C ATOM 814 O ASN A 57 15.287 19.986 9.988 1.00 30.43 O ATOM 815 CB ASN A 57 15.000 22.603 9.250 1.00 3.30 C ATOM 816 CG ASN A 57 13.688 22.000 8.788 1.00 51.21 C ATOM 817 OD1 ASN A 57 12.730 21.908 9.556 1.00 52.25 O ATOM 818 ND2 ASN A 57 13.639 21.586 7.527 1.00 31.43 N ATOM 0 H ASN A 57 17.401 22.162 10.833 1.00 72.45 H new ATOM 0 HA ASN A 57 14.573 22.761 11.351 1.00 43.30 H new ATOM 0 HB2 ASN A 57 14.964 23.685 9.123 1.00 3.30 H new ATOM 0 HB3 ASN A 57 15.808 22.235 8.619 1.00 3.30 H new ATOM 0 HD21 ASN A 57 12.783 21.172 7.159 1.00 31.43 H new ATOM 0 HD22 ASN A 57 14.458 21.682 6.926 1.00 31.43 H new ATOM 825 N ALA A 58 15.083 20.370 12.196 1.00 44.04 N ATOM 826 CA ALA A 58 14.987 18.958 12.544 1.00 64.10 C ATOM 827 C ALA A 58 14.851 18.772 14.051 1.00 15.44 C ATOM 828 O ALA A 58 14.202 17.834 14.515 1.00 64.04 O ATOM 829 CB ALA A 58 16.202 18.203 12.025 1.00 21.44 C ATOM 0 H ALA A 58 15.032 21.005 12.993 1.00 44.04 H new ATOM 0 HA ALA A 58 14.092 18.553 12.072 1.00 64.10 H new ATOM 0 HB1 ALA A 58 16.117 17.150 12.292 1.00 21.44 H new ATOM 0 HB2 ALA A 58 16.254 18.299 10.941 1.00 21.44 H new ATOM 0 HB3 ALA A 58 17.106 18.618 12.470 1.00 21.44 H new ATOM 835 N SER A 59 15.466 19.672 14.812 1.00 55.40 N ATOM 836 CA SER A 59 15.416 19.605 16.268 1.00 71.12 C ATOM 837 C SER A 59 13.973 19.533 16.759 1.00 4.14 C ATOM 838 O SER A 59 13.704 19.049 17.859 1.00 0.51 O ATOM 839 CB SER A 59 16.115 20.820 16.880 1.00 43.11 C ATOM 840 OG SER A 59 17.244 20.429 17.642 1.00 21.40 O ATOM 0 H SER A 59 16.005 20.456 14.444 1.00 55.40 H new ATOM 0 HA SER A 59 15.935 18.700 16.584 1.00 71.12 H new ATOM 0 HB2 SER A 59 16.425 21.502 16.088 1.00 43.11 H new ATOM 0 HB3 SER A 59 15.415 21.365 17.514 1.00 43.11 H new ATOM 0 HG SER A 59 17.674 21.224 18.021 1.00 21.40 H new ATOM 846 N ASP A 60 13.050 20.018 15.937 1.00 70.14 N ATOM 847 CA ASP A 60 11.634 20.009 16.286 1.00 61.43 C ATOM 848 C ASP A 60 10.787 19.542 15.106 1.00 33.22 C ATOM 849 O ASP A 60 10.159 18.484 15.160 1.00 43.11 O ATOM 850 CB ASP A 60 11.187 21.402 16.731 1.00 44.03 C ATOM 851 CG ASP A 60 10.536 21.391 18.099 1.00 13.45 C ATOM 852 OD1 ASP A 60 9.527 20.675 18.271 1.00 13.41 O ATOM 853 OD2 ASP A 60 11.035 22.098 18.999 1.00 10.53 O ATOM 0 H ASP A 60 13.257 20.423 15.024 1.00 70.14 H new ATOM 0 HA ASP A 60 11.493 19.311 17.111 1.00 61.43 H new ATOM 0 HB2 ASP A 60 12.049 22.069 16.747 1.00 44.03 H new ATOM 0 HB3 ASP A 60 10.485 21.806 16.001 1.00 44.03 H new ATOM 858 N SER A 61 10.773 20.338 14.042 1.00 14.42 N ATOM 859 CA SER A 61 9.998 20.009 12.851 1.00 3.32 C ATOM 860 C SER A 61 10.048 21.150 11.839 1.00 60.43 C ATOM 861 O SER A 61 10.608 21.006 10.751 1.00 20.24 O ATOM 862 CB SER A 61 8.546 19.710 13.228 1.00 61.32 C ATOM 863 OG SER A 61 8.118 20.531 14.300 1.00 34.34 O ATOM 0 H SER A 61 11.289 21.215 13.980 1.00 14.42 H new ATOM 0 HA SER A 61 10.437 19.122 12.395 1.00 3.32 H new ATOM 0 HB2 SER A 61 7.902 19.871 12.363 1.00 61.32 H new ATOM 0 HB3 SER A 61 8.448 18.661 13.508 1.00 61.32 H new ATOM 0 HG SER A 61 7.186 20.321 14.521 1.00 34.34 H new ATOM 869 N HIS A 62 9.458 22.283 12.204 1.00 11.31 N ATOM 870 CA HIS A 62 9.435 23.450 11.329 1.00 73.22 C ATOM 871 C HIS A 62 10.851 23.872 10.949 1.00 13.41 C ATOM 872 O HIS A 62 11.792 23.685 11.718 1.00 3.24 O ATOM 873 CB HIS A 62 8.709 24.610 12.010 1.00 51.42 C ATOM 874 CG HIS A 62 7.366 24.907 11.418 1.00 75.24 C ATOM 875 ND1 HIS A 62 6.237 24.169 11.705 1.00 32.04 N ATOM 876 CD2 HIS A 62 6.973 25.869 10.550 1.00 2.02 C ATOM 877 CE1 HIS A 62 5.209 24.663 11.039 1.00 14.43 C ATOM 878 NE2 HIS A 62 5.629 25.696 10.331 1.00 53.01 N ATOM 0 H HIS A 62 8.989 22.418 13.100 1.00 11.31 H new ATOM 0 HA HIS A 62 8.899 23.181 10.419 1.00 73.22 H new ATOM 0 HB2 HIS A 62 8.587 24.380 13.069 1.00 51.42 H new ATOM 0 HB3 HIS A 62 9.330 25.503 11.947 1.00 51.42 H new ATOM 0 HD2 HIS A 62 7.600 26.631 10.111 1.00 2.02 H new ATOM 0 HE1 HIS A 62 4.197 24.286 11.068 1.00 14.43 H new ATOM 0 HE2 HIS A 62 5.049 26.272 9.721 1.00 53.01 H new ATOM 886 N GLY A 63 10.993 24.443 9.757 1.00 44.04 N ATOM 887 CA GLY A 63 12.298 24.882 9.296 1.00 54.13 C ATOM 888 C GLY A 63 12.607 26.308 9.705 1.00 41.54 C ATOM 889 O GLY A 63 11.719 27.161 9.732 1.00 54.33 O ATOM 0 H GLY A 63 10.229 24.610 9.102 1.00 44.04 H new ATOM 0 HA2 GLY A 63 13.064 24.218 9.697 1.00 54.13 H new ATOM 0 HA3 GLY A 63 12.343 24.801 8.210 1.00 54.13 H new ATOM 893 N LEU A 64 13.869 26.569 10.025 1.00 5.55 N ATOM 894 CA LEU A 64 14.294 27.903 10.437 1.00 23.02 C ATOM 895 C LEU A 64 15.734 28.172 10.011 1.00 72.24 C ATOM 896 O LEU A 64 16.610 27.324 10.178 1.00 72.23 O ATOM 897 CB LEU A 64 14.163 28.056 11.953 1.00 15.24 C ATOM 898 CG LEU A 64 12.792 27.724 12.545 1.00 22.11 C ATOM 899 CD1 LEU A 64 12.667 26.229 12.795 1.00 51.03 C ATOM 900 CD2 LEU A 64 12.564 28.502 13.833 1.00 42.55 C ATOM 0 H LEU A 64 14.616 25.875 10.007 1.00 5.55 H new ATOM 0 HA LEU A 64 13.647 28.631 9.947 1.00 23.02 H new ATOM 0 HB2 LEU A 64 14.906 27.416 12.428 1.00 15.24 H new ATOM 0 HB3 LEU A 64 14.411 29.084 12.217 1.00 15.24 H new ATOM 0 HG LEU A 64 12.027 28.018 11.826 1.00 22.11 H new ATOM 0 HD11 LEU A 64 11.685 26.011 13.216 1.00 51.03 H new ATOM 0 HD12 LEU A 64 12.785 25.692 11.854 1.00 51.03 H new ATOM 0 HD13 LEU A 64 13.440 25.911 13.494 1.00 51.03 H new ATOM 0 HD21 LEU A 64 11.584 28.253 14.240 1.00 42.55 H new ATOM 0 HD22 LEU A 64 13.335 28.240 14.558 1.00 42.55 H new ATOM 0 HD23 LEU A 64 12.610 29.571 13.625 1.00 42.55 H new ATOM 912 N ALA A 65 15.971 29.358 9.461 1.00 51.31 N ATOM 913 CA ALA A 65 17.305 29.741 9.015 1.00 72.45 C ATOM 914 C ALA A 65 17.736 31.062 9.642 1.00 22.45 C ATOM 915 O ALA A 65 17.059 32.079 9.497 1.00 43.41 O ATOM 916 CB ALA A 65 17.346 29.837 7.497 1.00 51.34 C ATOM 0 H ALA A 65 15.256 30.071 9.313 1.00 51.31 H new ATOM 0 HA ALA A 65 18.005 28.970 9.339 1.00 72.45 H new ATOM 0 HB1 ALA A 65 18.348 30.124 7.177 1.00 51.34 H new ATOM 0 HB2 ALA A 65 17.090 28.870 7.064 1.00 51.34 H new ATOM 0 HB3 ALA A 65 16.629 30.586 7.160 1.00 51.34 H new ATOM 922 N SER A 66 18.866 31.038 10.342 1.00 64.04 N ATOM 923 CA SER A 66 19.386 32.233 10.996 1.00 54.31 C ATOM 924 C SER A 66 20.641 32.737 10.290 1.00 54.32 C ATOM 925 O SER A 66 21.665 32.054 10.254 1.00 13.30 O ATOM 926 CB SER A 66 19.696 31.942 12.465 1.00 13.14 C ATOM 927 OG SER A 66 20.090 33.121 13.147 1.00 60.54 O ATOM 0 H SER A 66 19.439 30.204 10.471 1.00 64.04 H new ATOM 0 HA SER A 66 18.622 33.009 10.940 1.00 54.31 H new ATOM 0 HB2 SER A 66 18.817 31.516 12.948 1.00 13.14 H new ATOM 0 HB3 SER A 66 20.489 31.197 12.532 1.00 13.14 H new ATOM 0 HG SER A 66 20.281 32.908 14.084 1.00 60.54 H new ATOM 933 N THR A 67 20.554 33.939 9.728 1.00 53.12 N ATOM 934 CA THR A 67 21.680 34.536 9.021 1.00 21.33 C ATOM 935 C THR A 67 22.254 35.715 9.798 1.00 52.31 C ATOM 936 O THR A 67 21.583 36.293 10.654 1.00 0.33 O ATOM 937 CB THR A 67 21.272 35.012 7.614 1.00 24.32 C ATOM 938 OG1 THR A 67 20.506 36.218 7.708 1.00 62.21 O ATOM 939 CG2 THR A 67 20.461 33.944 6.896 1.00 41.12 C ATOM 0 H THR A 67 19.715 34.518 9.749 1.00 53.12 H new ATOM 0 HA THR A 67 22.441 33.761 8.927 1.00 21.33 H new ATOM 0 HB THR A 67 22.179 35.203 7.041 1.00 24.32 H new ATOM 0 HG1 THR A 67 19.771 36.190 7.060 1.00 62.21 H new ATOM 0 HG21 THR A 67 20.184 34.303 5.905 1.00 41.12 H new ATOM 0 HG22 THR A 67 21.058 33.037 6.800 1.00 41.12 H new ATOM 0 HG23 THR A 67 19.559 33.726 7.468 1.00 41.12 H new ATOM 947 N LEU A 68 23.498 36.069 9.494 1.00 33.10 N ATOM 948 CA LEU A 68 24.162 37.182 10.164 1.00 62.43 C ATOM 949 C LEU A 68 25.418 37.601 9.407 1.00 64.21 C ATOM 950 O LEU A 68 26.496 37.718 9.989 1.00 34.04 O ATOM 951 CB LEU A 68 24.523 36.797 11.600 1.00 75.44 C ATOM 952 CG LEU A 68 25.060 37.924 12.482 1.00 33.10 C ATOM 953 CD1 LEU A 68 24.192 38.092 13.720 1.00 45.10 C ATOM 954 CD2 LEU A 68 26.505 37.652 12.874 1.00 52.01 C ATOM 0 H LEU A 68 24.067 35.602 8.788 1.00 33.10 H new ATOM 0 HA LEU A 68 23.473 38.026 10.183 1.00 62.43 H new ATOM 0 HB2 LEU A 68 23.636 36.381 12.077 1.00 75.44 H new ATOM 0 HB3 LEU A 68 25.269 36.003 11.565 1.00 75.44 H new ATOM 0 HG LEU A 68 25.028 38.853 11.912 1.00 33.10 H new ATOM 0 HD11 LEU A 68 24.589 38.899 14.336 1.00 45.10 H new ATOM 0 HD12 LEU A 68 23.172 38.333 13.419 1.00 45.10 H new ATOM 0 HD13 LEU A 68 24.192 37.165 14.293 1.00 45.10 H new ATOM 0 HD21 LEU A 68 26.871 38.465 13.502 1.00 52.01 H new ATOM 0 HD22 LEU A 68 26.562 36.714 13.426 1.00 52.01 H new ATOM 0 HD23 LEU A 68 27.119 37.583 11.976 1.00 52.01 H new ATOM 966 N ASN A 69 25.271 37.827 8.106 1.00 42.34 N ATOM 967 CA ASN A 69 26.394 38.235 7.269 1.00 51.50 C ATOM 968 C ASN A 69 26.077 39.530 6.527 1.00 51.21 C ATOM 969 O ASN A 69 24.956 40.035 6.591 1.00 23.12 O ATOM 970 CB ASN A 69 26.738 37.131 6.267 1.00 2.52 C ATOM 971 CG ASN A 69 25.503 36.500 5.655 1.00 55.51 C ATOM 972 OD1 ASN A 69 25.094 36.855 4.549 1.00 62.21 O ATOM 973 ND2 ASN A 69 24.901 35.560 6.374 1.00 53.02 N ATOM 0 H ASN A 69 24.386 37.735 7.608 1.00 42.34 H new ATOM 0 HA ASN A 69 27.253 38.409 7.917 1.00 51.50 H new ATOM 0 HB2 ASN A 69 27.362 37.545 5.475 1.00 2.52 H new ATOM 0 HB3 ASN A 69 27.326 36.361 6.767 1.00 2.52 H new ATOM 0 HD21 ASN A 69 24.064 35.100 6.014 1.00 53.02 H new ATOM 0 HD22 ASN A 69 25.275 35.297 7.286 1.00 53.02 H new ATOM 980 N GLN A 70 27.071 40.061 5.823 1.00 5.21 N ATOM 981 CA GLN A 70 26.898 41.297 5.069 1.00 42.10 C ATOM 982 C GLN A 70 26.927 41.028 3.568 1.00 21.41 C ATOM 983 O GLN A 70 27.748 41.587 2.843 1.00 40.15 O ATOM 984 CB GLN A 70 27.989 42.303 5.440 1.00 65.24 C ATOM 985 CG GLN A 70 27.925 42.765 6.886 1.00 13.23 C ATOM 986 CD GLN A 70 29.297 43.014 7.482 1.00 74.34 C ATOM 987 OE1 GLN A 70 30.046 43.868 7.008 1.00 62.04 O ATOM 988 NE2 GLN A 70 29.633 42.267 8.527 1.00 60.34 N ATOM 0 H GLN A 70 28.004 39.655 5.759 1.00 5.21 H new ATOM 0 HA GLN A 70 25.925 41.716 5.326 1.00 42.10 H new ATOM 0 HB2 GLN A 70 28.964 41.853 5.254 1.00 65.24 H new ATOM 0 HB3 GLN A 70 27.908 43.171 4.786 1.00 65.24 H new ATOM 0 HG2 GLN A 70 27.336 43.680 6.945 1.00 13.23 H new ATOM 0 HG3 GLN A 70 27.406 42.013 7.481 1.00 13.23 H new ATOM 0 HE21 GLN A 70 28.980 41.571 8.887 1.00 60.34 H new ATOM 0 HE22 GLN A 70 30.544 42.390 8.970 1.00 60.34 H new ATOM 997 N GLY A 71 26.025 40.166 3.109 1.00 72.41 N ATOM 998 CA GLY A 71 25.965 39.836 1.697 1.00 53.52 C ATOM 999 C GLY A 71 24.674 39.137 1.319 1.00 61.11 C ATOM 1000 O GLY A 71 23.636 39.356 1.942 1.00 24.32 O ATOM 0 H GLY A 71 25.335 39.690 3.690 1.00 72.41 H new ATOM 0 HA2 GLY A 71 26.066 40.748 1.109 1.00 53.52 H new ATOM 0 HA3 GLY A 71 26.809 39.196 1.440 1.00 53.52 H new ATOM 1004 N ASN A 72 24.738 38.294 0.293 1.00 21.14 N ATOM 1005 CA ASN A 72 23.565 37.562 -0.168 1.00 75.54 C ATOM 1006 C ASN A 72 23.686 36.077 0.160 1.00 60.40 C ATOM 1007 O ASN A 72 24.712 35.452 -0.110 1.00 72.21 O ATOM 1008 CB ASN A 72 23.381 37.749 -1.676 1.00 23.32 C ATOM 1009 CG ASN A 72 22.159 37.023 -2.204 1.00 40.02 C ATOM 1010 OD1 ASN A 72 22.218 35.835 -2.523 1.00 42.54 O ATOM 1011 ND2 ASN A 72 21.043 37.736 -2.299 1.00 12.10 N ATOM 0 H ASN A 72 25.590 38.101 -0.234 1.00 21.14 H new ATOM 0 HA ASN A 72 22.693 37.960 0.350 1.00 75.54 H new ATOM 0 HB2 ASN A 72 23.293 38.812 -1.899 1.00 23.32 H new ATOM 0 HB3 ASN A 72 24.268 37.386 -2.195 1.00 23.32 H new ATOM 0 HD21 ASN A 72 20.189 37.302 -2.648 1.00 12.10 H new ATOM 0 HD22 ASN A 72 21.040 38.718 -2.023 1.00 12.10 H new ATOM 1018 N VAL A 73 22.631 35.517 0.744 1.00 61.10 N ATOM 1019 CA VAL A 73 22.618 34.105 1.108 1.00 42.12 C ATOM 1020 C VAL A 73 21.603 33.332 0.274 1.00 72.02 C ATOM 1021 O VAL A 73 20.492 33.805 0.032 1.00 21.10 O ATOM 1022 CB VAL A 73 22.292 33.913 2.601 1.00 43.31 C ATOM 1023 CG1 VAL A 73 22.417 32.448 2.991 1.00 41.41 C ATOM 1024 CG2 VAL A 73 23.200 34.781 3.460 1.00 54.34 C ATOM 0 H VAL A 73 21.774 36.020 0.975 1.00 61.10 H new ATOM 0 HA VAL A 73 23.617 33.718 0.909 1.00 42.12 H new ATOM 0 HB VAL A 73 21.261 34.223 2.773 1.00 43.31 H new ATOM 0 HG11 VAL A 73 22.183 32.332 4.049 1.00 41.41 H new ATOM 0 HG12 VAL A 73 21.722 31.853 2.398 1.00 41.41 H new ATOM 0 HG13 VAL A 73 23.436 32.108 2.805 1.00 41.41 H new ATOM 0 HG21 VAL A 73 22.956 34.633 4.512 1.00 54.34 H new ATOM 0 HG22 VAL A 73 24.240 34.503 3.286 1.00 54.34 H new ATOM 0 HG23 VAL A 73 23.056 35.829 3.198 1.00 54.34 H new ATOM 1034 N LYS A 74 21.991 32.139 -0.164 1.00 33.13 N ATOM 1035 CA LYS A 74 21.115 31.297 -0.970 1.00 14.12 C ATOM 1036 C LYS A 74 20.562 30.140 -0.144 1.00 71.54 C ATOM 1037 O LYS A 74 21.312 29.280 0.318 1.00 20.02 O ATOM 1038 CB LYS A 74 21.870 30.755 -2.185 1.00 44.43 C ATOM 1039 CG LYS A 74 20.996 30.576 -3.414 1.00 65.44 C ATOM 1040 CD LYS A 74 20.567 31.913 -3.993 1.00 55.15 C ATOM 1041 CE LYS A 74 20.361 31.829 -5.498 1.00 60.22 C ATOM 1042 NZ LYS A 74 20.646 33.127 -6.170 1.00 71.34 N ATOM 0 H LYS A 74 22.907 31.733 0.026 1.00 33.13 H new ATOM 0 HA LYS A 74 20.280 31.908 -1.312 1.00 14.12 H new ATOM 0 HB2 LYS A 74 22.688 31.434 -2.427 1.00 44.43 H new ATOM 0 HB3 LYS A 74 22.318 29.796 -1.926 1.00 44.43 H new ATOM 0 HG2 LYS A 74 21.541 30.009 -4.169 1.00 65.44 H new ATOM 0 HG3 LYS A 74 20.114 29.992 -3.152 1.00 65.44 H new ATOM 0 HD2 LYS A 74 19.642 32.237 -3.516 1.00 55.15 H new ATOM 0 HD3 LYS A 74 21.322 32.667 -3.770 1.00 55.15 H new ATOM 0 HE2 LYS A 74 21.010 31.056 -5.911 1.00 60.22 H new ATOM 0 HE3 LYS A 74 19.334 31.529 -5.708 1.00 60.22 H new ATOM 0 HZ1 LYS A 74 20.494 33.028 -7.194 1.00 71.34 H new ATOM 0 HZ2 LYS A 74 20.010 33.859 -5.795 1.00 71.34 H new ATOM 0 HZ3 LYS A 74 21.633 33.401 -5.991 1.00 71.34 H new ATOM 1056 N VAL A 75 19.245 30.123 0.035 1.00 31.35 N ATOM 1057 CA VAL A 75 18.592 29.069 0.803 1.00 55.12 C ATOM 1058 C VAL A 75 18.019 27.995 -0.115 1.00 60.02 C ATOM 1059 O VAL A 75 17.143 28.267 -0.937 1.00 71.50 O ATOM 1060 CB VAL A 75 17.460 29.634 1.682 1.00 51.24 C ATOM 1061 CG1 VAL A 75 16.758 28.514 2.434 1.00 53.01 C ATOM 1062 CG2 VAL A 75 18.005 30.676 2.647 1.00 62.20 C ATOM 0 H VAL A 75 18.609 30.827 -0.341 1.00 31.35 H new ATOM 0 HA VAL A 75 19.354 28.626 1.445 1.00 55.12 H new ATOM 0 HB VAL A 75 16.728 30.118 1.035 1.00 51.24 H new ATOM 0 HG11 VAL A 75 15.962 28.932 3.049 1.00 53.01 H new ATOM 0 HG12 VAL A 75 16.333 27.808 1.721 1.00 53.01 H new ATOM 0 HG13 VAL A 75 17.476 27.998 3.071 1.00 53.01 H new ATOM 0 HG21 VAL A 75 17.192 31.065 3.260 1.00 62.20 H new ATOM 0 HG22 VAL A 75 18.757 30.219 3.290 1.00 62.20 H new ATOM 0 HG23 VAL A 75 18.457 31.493 2.084 1.00 62.20 H new ATOM 1072 N THR A 76 18.520 26.772 0.030 1.00 74.13 N ATOM 1073 CA THR A 76 18.059 25.656 -0.787 1.00 30.25 C ATOM 1074 C THR A 76 17.275 24.650 0.049 1.00 5.11 C ATOM 1075 O THR A 76 17.715 24.248 1.126 1.00 73.41 O ATOM 1076 CB THR A 76 19.237 24.934 -1.467 1.00 22.41 C ATOM 1077 OG1 THR A 76 20.408 25.757 -1.424 1.00 14.42 O ATOM 1078 CG2 THR A 76 18.902 24.595 -2.912 1.00 25.54 C ATOM 0 H THR A 76 19.245 26.529 0.705 1.00 74.13 H new ATOM 0 HA THR A 76 17.407 26.074 -1.554 1.00 30.25 H new ATOM 0 HB THR A 76 19.426 24.006 -0.927 1.00 22.41 H new ATOM 0 HG1 THR A 76 21.153 25.289 -1.857 1.00 14.42 H new ATOM 0 HG21 THR A 76 19.749 24.086 -3.372 1.00 25.54 H new ATOM 0 HG22 THR A 76 18.028 23.944 -2.940 1.00 25.54 H new ATOM 0 HG23 THR A 76 18.689 25.512 -3.461 1.00 25.54 H new ATOM 1086 N ALA A 77 16.113 24.247 -0.454 1.00 43.33 N ATOM 1087 CA ALA A 77 15.270 23.286 0.245 1.00 31.01 C ATOM 1088 C ALA A 77 14.638 22.299 -0.730 1.00 72.31 C ATOM 1089 O ALA A 77 14.104 22.692 -1.767 1.00 73.42 O ATOM 1090 CB ALA A 77 14.193 24.009 1.040 1.00 54.03 C ATOM 0 H ALA A 77 15.734 24.572 -1.344 1.00 43.33 H new ATOM 0 HA ALA A 77 15.899 22.723 0.935 1.00 31.01 H new ATOM 0 HB1 ALA A 77 13.571 23.279 1.557 1.00 54.03 H new ATOM 0 HB2 ALA A 77 14.661 24.669 1.770 1.00 54.03 H new ATOM 0 HB3 ALA A 77 13.575 24.598 0.363 1.00 54.03 H new ATOM 1096 N SER A 78 14.703 21.015 -0.391 1.00 12.11 N ATOM 1097 CA SER A 78 14.141 19.971 -1.239 1.00 75.13 C ATOM 1098 C SER A 78 13.586 18.826 -0.397 1.00 11.33 C ATOM 1099 O SER A 78 14.200 18.410 0.586 1.00 4.40 O ATOM 1100 CB SER A 78 15.203 19.441 -2.204 1.00 22.31 C ATOM 1101 OG SER A 78 14.629 18.580 -3.172 1.00 40.13 O ATOM 0 H SER A 78 15.139 20.673 0.465 1.00 12.11 H new ATOM 0 HA SER A 78 13.323 20.406 -1.813 1.00 75.13 H new ATOM 0 HB2 SER A 78 15.695 20.276 -2.702 1.00 22.31 H new ATOM 0 HB3 SER A 78 15.971 18.905 -1.646 1.00 22.31 H new ATOM 0 HG SER A 78 13.686 18.815 -3.301 1.00 40.13 H new ATOM 1107 N ILE A 79 12.421 18.322 -0.789 1.00 12.13 N ATOM 1108 CA ILE A 79 11.783 17.225 -0.071 1.00 3.30 C ATOM 1109 C ILE A 79 11.205 16.198 -1.038 1.00 52.11 C ATOM 1110 O ILE A 79 10.475 16.545 -1.966 1.00 10.33 O ATOM 1111 CB ILE A 79 10.660 17.734 0.852 1.00 24.02 C ATOM 1112 CG1 ILE A 79 9.920 16.556 1.488 1.00 21.51 C ATOM 1113 CG2 ILE A 79 9.695 18.616 0.075 1.00 13.12 C ATOM 1114 CD1 ILE A 79 9.793 16.662 2.992 1.00 62.14 C ATOM 0 H ILE A 79 11.899 18.656 -1.600 1.00 12.13 H new ATOM 0 HA ILE A 79 12.556 16.754 0.537 1.00 3.30 H new ATOM 0 HB ILE A 79 11.106 18.331 1.648 1.00 24.02 H new ATOM 0 HG12 ILE A 79 8.924 16.485 1.052 1.00 21.51 H new ATOM 0 HG13 ILE A 79 10.443 15.632 1.240 1.00 21.51 H new ATOM 0 HG21 ILE A 79 8.907 18.968 0.741 1.00 13.12 H new ATOM 0 HG22 ILE A 79 10.233 19.471 -0.334 1.00 13.12 H new ATOM 0 HG23 ILE A 79 9.252 18.042 -0.739 1.00 13.12 H new ATOM 0 HD11 ILE A 79 9.258 15.793 3.374 1.00 62.14 H new ATOM 0 HD12 ILE A 79 10.786 16.702 3.439 1.00 62.14 H new ATOM 0 HD13 ILE A 79 9.243 17.568 3.248 1.00 62.14 H new ATOM 1126 N GLY A 80 11.535 14.930 -0.813 1.00 71.24 N ATOM 1127 CA GLY A 80 11.038 13.871 -1.672 1.00 61.40 C ATOM 1128 C GLY A 80 11.614 13.942 -3.073 1.00 34.34 C ATOM 1129 O GLY A 80 12.731 13.489 -3.316 1.00 22.42 O ATOM 0 H GLY A 80 12.137 14.617 -0.052 1.00 71.24 H new ATOM 0 HA2 GLY A 80 11.282 12.905 -1.231 1.00 61.40 H new ATOM 0 HA3 GLY A 80 9.951 13.931 -1.726 1.00 61.40 H new ATOM 1133 N GLY A 81 10.847 14.511 -3.998 1.00 1.43 N ATOM 1134 CA GLY A 81 11.304 14.628 -5.370 1.00 75.03 C ATOM 1135 C GLY A 81 11.494 16.070 -5.798 1.00 33.24 C ATOM 1136 O GLY A 81 12.586 16.463 -6.208 1.00 51.41 O ATOM 0 H GLY A 81 9.918 14.893 -3.822 1.00 1.43 H new ATOM 0 HA2 GLY A 81 12.246 14.092 -5.483 1.00 75.03 H new ATOM 0 HA3 GLY A 81 10.583 14.148 -6.032 1.00 75.03 H new ATOM 1140 N ILE A 82 10.429 16.859 -5.703 1.00 32.32 N ATOM 1141 CA ILE A 82 10.484 18.265 -6.083 1.00 71.45 C ATOM 1142 C ILE A 82 11.392 19.053 -5.146 1.00 20.23 C ATOM 1143 O ILE A 82 11.581 18.678 -3.989 1.00 34.21 O ATOM 1144 CB ILE A 82 9.083 18.904 -6.081 1.00 12.04 C ATOM 1145 CG1 ILE A 82 8.092 18.016 -6.836 1.00 14.30 C ATOM 1146 CG2 ILE A 82 9.134 20.294 -6.697 1.00 14.01 C ATOM 1147 CD1 ILE A 82 8.501 17.733 -8.264 1.00 64.32 C ATOM 0 H ILE A 82 9.518 16.548 -5.366 1.00 32.32 H new ATOM 0 HA ILE A 82 10.890 18.303 -7.094 1.00 71.45 H new ATOM 0 HB ILE A 82 8.744 18.998 -5.049 1.00 12.04 H new ATOM 0 HG12 ILE A 82 7.984 17.071 -6.303 1.00 14.30 H new ATOM 0 HG13 ILE A 82 7.113 18.496 -6.835 1.00 14.30 H new ATOM 0 HG21 ILE A 82 8.136 20.733 -6.688 1.00 14.01 H new ATOM 0 HG22 ILE A 82 9.812 20.923 -6.120 1.00 14.01 H new ATOM 0 HG23 ILE A 82 9.491 20.224 -7.725 1.00 14.01 H new ATOM 0 HD11 ILE A 82 7.752 17.098 -8.738 1.00 64.32 H new ATOM 0 HD12 ILE A 82 8.581 18.672 -8.812 1.00 64.32 H new ATOM 0 HD13 ILE A 82 9.465 17.225 -8.272 1.00 64.32 H new ATOM 1159 N GLN A 83 11.950 20.147 -5.653 1.00 2.32 N ATOM 1160 CA GLN A 83 12.838 20.989 -4.860 1.00 11.25 C ATOM 1161 C GLN A 83 12.563 22.467 -5.119 1.00 70.34 C ATOM 1162 O GLN A 83 11.938 22.826 -6.116 1.00 41.24 O ATOM 1163 CB GLN A 83 14.299 20.667 -5.176 1.00 62.23 C ATOM 1164 CG GLN A 83 14.779 21.250 -6.495 1.00 51.55 C ATOM 1165 CD GLN A 83 16.229 20.918 -6.788 1.00 12.22 C ATOM 1166 OE1 GLN A 83 17.139 21.439 -6.143 1.00 23.23 O ATOM 1167 NE2 GLN A 83 16.451 20.047 -7.765 1.00 23.33 N ATOM 0 H GLN A 83 11.803 20.471 -6.609 1.00 2.32 H new ATOM 0 HA GLN A 83 12.648 20.782 -3.807 1.00 11.25 H new ATOM 0 HB2 GLN A 83 14.928 21.046 -4.371 1.00 62.23 H new ATOM 0 HB3 GLN A 83 14.427 19.585 -5.199 1.00 62.23 H new ATOM 0 HG2 GLN A 83 14.153 20.872 -7.304 1.00 51.55 H new ATOM 0 HG3 GLN A 83 14.655 22.333 -6.476 1.00 51.55 H new ATOM 0 HE21 GLN A 83 15.666 19.640 -8.273 1.00 23.33 H new ATOM 0 HE22 GLN A 83 17.407 19.785 -8.007 1.00 23.33 H new ATOM 1176 N GLY A 84 13.034 23.320 -4.215 1.00 21.44 N ATOM 1177 CA GLY A 84 12.828 24.748 -4.364 1.00 44.31 C ATOM 1178 C GLY A 84 14.056 25.553 -3.987 1.00 42.43 C ATOM 1179 O GLY A 84 15.034 25.006 -3.478 1.00 72.40 O ATOM 0 H GLY A 84 13.555 23.047 -3.382 1.00 21.44 H new ATOM 0 HA2 GLY A 84 12.557 24.967 -5.397 1.00 44.31 H new ATOM 0 HA3 GLY A 84 11.989 25.058 -3.741 1.00 44.31 H new ATOM 1183 N SER A 85 14.007 26.858 -4.240 1.00 22.54 N ATOM 1184 CA SER A 85 15.127 27.739 -3.928 1.00 75.15 C ATOM 1185 C SER A 85 14.630 29.112 -3.486 1.00 41.14 C ATOM 1186 O SER A 85 13.510 29.513 -3.805 1.00 1.32 O ATOM 1187 CB SER A 85 16.043 27.883 -5.145 1.00 22.32 C ATOM 1188 OG SER A 85 15.290 28.019 -6.338 1.00 23.54 O ATOM 0 H SER A 85 13.205 27.328 -4.660 1.00 22.54 H new ATOM 0 HA SER A 85 15.691 27.294 -3.108 1.00 75.15 H new ATOM 0 HB2 SER A 85 16.688 28.752 -5.018 1.00 22.32 H new ATOM 0 HB3 SER A 85 16.694 27.012 -5.219 1.00 22.32 H new ATOM 0 HG SER A 85 15.899 28.111 -7.100 1.00 23.54 H new ATOM 1194 N THR A 86 15.472 29.830 -2.750 1.00 23.04 N ATOM 1195 CA THR A 86 15.121 31.158 -2.262 1.00 35.41 C ATOM 1196 C THR A 86 16.341 32.070 -2.224 1.00 13.43 C ATOM 1197 O THR A 86 17.473 31.604 -2.100 1.00 63.21 O ATOM 1198 CB THR A 86 14.498 31.092 -0.854 1.00 41.34 C ATOM 1199 OG1 THR A 86 13.688 29.918 -0.731 1.00 11.11 O ATOM 1200 CG2 THR A 86 13.655 32.328 -0.578 1.00 32.22 C ATOM 0 H THR A 86 16.403 29.514 -2.478 1.00 23.04 H new ATOM 0 HA THR A 86 14.388 31.567 -2.957 1.00 35.41 H new ATOM 0 HB THR A 86 15.306 31.052 -0.124 1.00 41.34 H new ATOM 0 HG1 THR A 86 14.035 29.355 -0.008 1.00 11.11 H new ATOM 0 HG21 THR A 86 13.225 32.260 0.421 1.00 32.22 H new ATOM 0 HG22 THR A 86 14.281 33.218 -0.644 1.00 32.22 H new ATOM 0 HG23 THR A 86 12.854 32.394 -1.314 1.00 32.22 H new ATOM 1208 N ASP A 87 16.103 33.373 -2.330 1.00 13.02 N ATOM 1209 CA ASP A 87 17.183 34.352 -2.306 1.00 1.24 C ATOM 1210 C ASP A 87 17.005 35.330 -1.148 1.00 74.30 C ATOM 1211 O ASP A 87 15.953 35.953 -1.005 1.00 13.12 O ATOM 1212 CB ASP A 87 17.238 35.115 -3.630 1.00 3.31 C ATOM 1213 CG ASP A 87 18.038 36.399 -3.525 1.00 51.14 C ATOM 1214 OD1 ASP A 87 17.498 37.394 -2.997 1.00 32.43 O ATOM 1215 OD2 ASP A 87 19.204 36.409 -3.972 1.00 0.25 O ATOM 0 H ASP A 87 15.171 33.775 -2.433 1.00 13.02 H new ATOM 0 HA ASP A 87 18.122 33.817 -2.165 1.00 1.24 H new ATOM 0 HB2 ASP A 87 17.679 34.477 -4.396 1.00 3.31 H new ATOM 0 HB3 ASP A 87 16.224 35.348 -3.954 1.00 3.31 H new ATOM 1220 N PHE A 88 18.039 35.458 -0.324 1.00 30.34 N ATOM 1221 CA PHE A 88 17.996 36.358 0.823 1.00 31.40 C ATOM 1222 C PHE A 88 19.210 37.282 0.835 1.00 70.11 C ATOM 1223 O PHE A 88 20.314 36.881 0.464 1.00 13.43 O ATOM 1224 CB PHE A 88 17.938 35.556 2.125 1.00 1.43 C ATOM 1225 CG PHE A 88 16.662 34.784 2.297 1.00 33.54 C ATOM 1226 CD1 PHE A 88 15.541 35.385 2.846 1.00 13.22 C ATOM 1227 CD2 PHE A 88 16.583 33.456 1.910 1.00 73.31 C ATOM 1228 CE1 PHE A 88 14.365 34.676 3.006 1.00 4.04 C ATOM 1229 CE2 PHE A 88 15.410 32.741 2.067 1.00 12.43 C ATOM 1230 CZ PHE A 88 14.299 33.353 2.615 1.00 24.13 C ATOM 0 H PHE A 88 18.917 34.950 -0.429 1.00 30.34 H new ATOM 0 HA PHE A 88 17.097 36.969 0.740 1.00 31.40 H new ATOM 0 HB2 PHE A 88 18.779 34.863 2.153 1.00 1.43 H new ATOM 0 HB3 PHE A 88 18.058 36.237 2.968 1.00 1.43 H new ATOM 0 HD1 PHE A 88 15.586 36.420 3.153 1.00 13.22 H new ATOM 0 HD2 PHE A 88 17.448 32.973 1.480 1.00 73.31 H new ATOM 0 HE1 PHE A 88 13.499 35.156 3.436 1.00 4.04 H new ATOM 0 HE2 PHE A 88 15.362 31.706 1.762 1.00 12.43 H new ATOM 0 HZ PHE A 88 13.381 32.798 2.737 1.00 24.13 H new ATOM 1240 N LYS A 89 18.998 38.522 1.263 1.00 71.22 N ATOM 1241 CA LYS A 89 20.073 39.505 1.325 1.00 71.14 C ATOM 1242 C LYS A 89 20.222 40.061 2.737 1.00 34.53 C ATOM 1243 O LYS A 89 19.369 40.811 3.213 1.00 21.40 O ATOM 1244 CB LYS A 89 19.805 40.647 0.342 1.00 72.34 C ATOM 1245 CG LYS A 89 21.042 41.460 0.002 1.00 13.44 C ATOM 1246 CD LYS A 89 21.548 41.149 -1.396 1.00 72.01 C ATOM 1247 CE LYS A 89 22.024 42.405 -2.109 1.00 40.31 C ATOM 1248 NZ LYS A 89 21.637 42.407 -3.547 1.00 40.41 N ATOM 0 H LYS A 89 18.091 38.870 1.572 1.00 71.22 H new ATOM 0 HA LYS A 89 21.003 39.007 1.050 1.00 71.14 H new ATOM 0 HB2 LYS A 89 19.388 40.234 -0.577 1.00 72.34 H new ATOM 0 HB3 LYS A 89 19.050 41.310 0.765 1.00 72.34 H new ATOM 0 HG2 LYS A 89 20.812 42.523 0.078 1.00 13.44 H new ATOM 0 HG3 LYS A 89 21.827 41.251 0.729 1.00 13.44 H new ATOM 0 HD2 LYS A 89 22.366 40.431 -1.337 1.00 72.01 H new ATOM 0 HD3 LYS A 89 20.753 40.679 -1.976 1.00 72.01 H new ATOM 0 HE2 LYS A 89 21.603 43.283 -1.618 1.00 40.31 H new ATOM 0 HE3 LYS A 89 23.108 42.482 -2.025 1.00 40.31 H new ATOM 0 HZ1 LYS A 89 21.980 43.279 -3.998 1.00 40.41 H new ATOM 0 HZ2 LYS A 89 22.059 41.583 -4.021 1.00 40.41 H new ATOM 0 HZ3 LYS A 89 20.601 42.360 -3.628 1.00 40.41 H new ATOM 1262 N VAL A 90 21.310 39.689 3.403 1.00 24.21 N ATOM 1263 CA VAL A 90 21.572 40.152 4.761 1.00 51.35 C ATOM 1264 C VAL A 90 22.514 41.351 4.760 1.00 21.20 C ATOM 1265 O VAL A 90 23.716 41.210 4.532 1.00 41.44 O ATOM 1266 CB VAL A 90 22.181 39.035 5.628 1.00 62.44 C ATOM 1267 CG1 VAL A 90 22.174 39.433 7.095 1.00 1.45 C ATOM 1268 CG2 VAL A 90 21.430 37.729 5.418 1.00 72.42 C ATOM 0 H VAL A 90 22.025 39.068 3.024 1.00 24.21 H new ATOM 0 HA VAL A 90 20.612 40.447 5.185 1.00 51.35 H new ATOM 0 HB VAL A 90 23.217 38.886 5.322 1.00 62.44 H new ATOM 0 HG11 VAL A 90 22.608 38.631 7.692 1.00 1.45 H new ATOM 0 HG12 VAL A 90 22.760 40.342 7.228 1.00 1.45 H new ATOM 0 HG13 VAL A 90 21.149 39.612 7.419 1.00 1.45 H new ATOM 0 HG21 VAL A 90 21.874 36.950 6.038 1.00 72.42 H new ATOM 0 HG22 VAL A 90 20.384 37.862 5.695 1.00 72.42 H new ATOM 0 HG23 VAL A 90 21.493 37.438 4.370 1.00 72.42 H new ATOM 1278 N THR A 91 21.961 42.532 5.018 1.00 72.10 N ATOM 1279 CA THR A 91 22.751 43.756 5.047 1.00 51.12 C ATOM 1280 C THR A 91 23.268 44.043 6.452 1.00 45.54 C ATOM 1281 O THR A 91 22.913 43.353 7.406 1.00 0.24 O ATOM 1282 CB THR A 91 21.932 44.965 4.557 1.00 51.05 C ATOM 1283 OG1 THR A 91 20.824 44.518 3.767 1.00 41.43 O ATOM 1284 CG2 THR A 91 22.798 45.909 3.736 1.00 23.22 C ATOM 0 H THR A 91 20.968 42.666 5.210 1.00 72.10 H new ATOM 0 HA THR A 91 23.596 43.603 4.376 1.00 51.12 H new ATOM 0 HB THR A 91 21.562 45.503 5.430 1.00 51.05 H new ATOM 0 HG1 THR A 91 20.307 45.292 3.461 1.00 41.43 H new ATOM 0 HG21 THR A 91 22.198 46.755 3.401 1.00 23.22 H new ATOM 0 HG22 THR A 91 23.624 46.270 4.348 1.00 23.22 H new ATOM 0 HG23 THR A 91 23.193 45.379 2.869 1.00 23.22 H new ATOM 1292 N GLN A 92 24.109 45.066 6.570 1.00 52.41 N ATOM 1293 CA GLN A 92 24.675 45.444 7.859 1.00 12.24 C ATOM 1294 C GLN A 92 25.340 44.249 8.533 1.00 21.41 C ATOM 1295 O GLN A 92 26.491 44.327 8.966 1.00 53.15 O ATOM 1296 CB GLN A 92 23.587 46.017 8.769 1.00 10.35 C ATOM 1297 CG GLN A 92 23.554 47.537 8.795 1.00 33.24 C ATOM 1298 CD GLN A 92 23.103 48.088 10.134 1.00 74.13 C ATOM 1299 OE1 GLN A 92 22.346 47.443 10.861 1.00 64.04 O ATOM 1300 NE2 GLN A 92 23.565 49.287 10.467 1.00 45.11 N ATOM 0 H GLN A 92 24.413 45.647 5.789 1.00 52.41 H new ATOM 0 HA GLN A 92 25.433 46.208 7.685 1.00 12.24 H new ATOM 0 HB2 GLN A 92 22.617 45.646 8.439 1.00 10.35 H new ATOM 0 HB3 GLN A 92 23.741 45.648 9.783 1.00 10.35 H new ATOM 0 HG2 GLN A 92 24.547 47.922 8.564 1.00 33.24 H new ATOM 0 HG3 GLN A 92 22.883 47.896 8.014 1.00 33.24 H new ATOM 0 HE21 GLN A 92 24.190 49.786 9.834 1.00 45.11 H new ATOM 0 HE22 GLN A 92 23.295 49.709 11.355 1.00 45.11 H new TER 1309 GLN A 92